Tag: M.W=1000-2000

SDS of cas: 1953146-81-0. Today I’d like to introduce a new chemical compound, CAS is 1953146-81-0, Name is 36-(((2R,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-21,21-bis((3-((3-(5-(((2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)pentanamido)propyl)amino)-3-oxopropoxy)methyl)-19,26,32-trioxo-4,7,10,13,16,23-hexaoxa-20,27,31-triazahexatriacontan-1-oic acid, Formula is C75H134N10O35, Molecular Weight is 1735.91g/mol. Because of its complex structure and huge molecular weight, this compound is rarely understood. Now let me introduce some knowledge about its synthesis.

The general reactant of this compound is 5-[[3,4,6-Tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentanoic acid;Phenylmethyl N-[2-[3-[(3-aminopropyl)amino]-3-oxopropoxy]-1,1-bis[[3-[(3-aminopropyl)amino]-3-oxopropoxy]methyl]ethyl]carbamate, Reagents is 1-Hydroxybenzotriazole, Diisopropylethylamine;1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide, Catalyst(), Solvent is Dimethylformamide, Products Phenylmethyl 8,14-dioxo-3,3-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-18-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-5-oxa-2,9,13-triazaoctadecanoate, Yield: 58%, Synthetic Methods procedure :1. Add HOBt ( 25.00 g, 0.16 mmol ) and HBTU ( 75.15 g, 198.15 mmol ) to a solution of triamine ( 35.0 g, 54 mmol ) and the acid ( 80.54 g, 180.10 mmol ) in DMF ( 300 mL ) ., 2. Add DIEA ( 94 mL, 544 mmol ) slowly to above mixture., 3. Stir the reaction for 3 hours at room temperature, dilute with water and extract the mixture with ether ( 300 mL ) ., 4. Separate the water phase, extract with DCM ( 2 x 500 mL ) and wash the combined organic layers consecutively with saturated NaHCO3 ( 400 mL ) , water ( 2 x 300 mL ) and brine ( 300 mL ) ., 5. Dry over anhydrous Na2SO4, evaporate the solvent under reduced pressure., 6. Purify the residue by silica gel chromatography ( eluent: 3-15 % MeOH in DCM ) ., Transfornation (Acylation of Nitrogen Nucleophiles by Carboxylic Acids. Characterization Data include ‘s Proton NMR Spectrum : ( 400 MHz, DMSO-d 6 ) : δ 7.87–7.76 ( m, 6H, NH ) ; 7.71 ( t, J = 5.7 Hz, 3H, NH ) ; 7.37-7.25 ( m, 5H ) ; 6.52 ( brs, 1H, NH ) ; 5.20 ( d, J = 3.4 Hz, 3H, sugar H4 ) ; 5.00–4.92 ( m, 5H ) ; 4.47 ( d, J = 8.5 Hz, 3H, sugar H1 ) ; 4.06–3.97 ( m, 9H, sugar H5, H6, H6′ ) ; 3.86 ( dt, J = 8.8, 11.1 Hz, 3H, sugar H2 ) ; 3.69 ( dt, J = 5.6, 9.9 Hz, 3H ) ; 3.53 ( t, J = 6.4 Hz, 6H ) ; 3.47 ( s broad, 6H ) ; 3.39 ( dt, J = 6.4, 9.9 Hz, 3H ) ; 3.07-2.97 ( m, 12H ) ; 2.26 ( t, J = 6.4 Hz, 6H ) ; 2.09 ( s, 9H ) ; 2.03 ( t, J = 7.0 Hz, 6H ) ; 1.98 ( s, 9H ) ; 1.88 ( s, 9H ) ; 1.76 ( s, 9H ) ; 1.58–1.35 ( m, 18H ) ., Carbon-13 NMR : ( 126 MHz, DMSO-d 6 ) : δ171.9, 170.0, 169.9, 169.9, 169.6, 169.4, 137.2, 128.3, 127.7, 127.5, 101.0, 79.2, 70.5, 69.8, 68.7, 68.2, 67.3, 66.7, 61.4, 58.8, 49.4, 36.4, 36.3, 36.1, 35.0, 29.3, 28.6, 22.8, 21.8, 20.5, 20.5, 20.4., Mass Spectrum: Mass calc. for C87H134N10O38: 1926.88; found: 1949.89 [M+Na+, MALDI-TOF, matrix: 2- ( 4-hydroxyphenylazo ) benzoic acid ( HABA ) ]., State is pale yellow solid

SDS of cas: 1953146-81-0. I’m so glad you had the patience to read the whole article, if you want know more about 1953146-81-0, you can browse my other blog.

Reference:
CAS Reaction Number: 31-355-CAS-9994399,
,CAS Method Number: 3-614-CAS-3165786

Electric Literature of 1159408-65-7. Today I’d like to introduce a new chemical compound, CAS is 1159408-65-7, Name is 4,8-Dioxa-12,16-diazaheneicosanamide, 6-amino-11,17-dioxo-6-[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-N-[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]-21-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-, 2,2,2-trifluoroacetate, Formula is C81H129F3N10O38, Molecular Weight is 1907.93g/mol. Because of its complex structure and huge molecular weight, this compound is rarely understood. Now let me introduce some knowledge about its synthesis.

The general reactant of this compound is 5-Hexen-1-ol；5H-Pyrano[3,2-d]oxazole-6,7-diol, 5-[(acetyloxy)methyl]-3a,6,7,7a-tetrahydro-2-methyl-, (3aR,5R,6R,7R,7aR)-6,7-diacetate, , Reagents is Trimethylsilyl triflate；Sodium bicarbonate, Catalyst(), Solvent is Dichloromethane,Water, Products β-D-Galactopyranoside, 5-hexen-1-yl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate, Yield: 82%, Synthetic Methods procedure :1. Stir the reactant ( 642.7 g, 1.95 mol ) in anhydrous 1, 2-dichloroethane ( 4500 mL ) with 4 Å molecular sieves ( 650 g ) for 5 minutes at room temperature., 2. Add 5-Hexen-1-ol ( 215 g, 2.15 mol ) and continue stirring for 30 minutes., 3. Add TMS-triflate ( 180.7 mL, 0.98 mol ) dropwise under constant stirring over 10 minutes and continue stirring for 2 hours at room temperature., 4. Quench the reaction mixture with cold saturated NaHCO3 solution ( 2 L ) and separate the organic layer., 5. Extract the product into dichloromethane ( DCM, 4L ) ; wash the combined organic layers with water, dry over anhydrous Na2SO4 and evaporate to dryness under reduced pressure., Transfornation (Alkylation or Silylation of Alcohol with Inorganic/ Organic Esters. Characterization Data include ‘s Proton NMR Spectrum : ( 400 MHz, DMSO-d 6 ) : δ 7.80 ( d, J = 9.2 Hz, 1H, NHCOCH3 ) , 5.83-5.72 ( m, 1H, -CH=CH2 ) ; 5.20 ( d, J = 3.4 Hz, 1H, H4 ) ; 5.02-4.91 ( m, 3H, -CH=CH2, H3 ) , 4.47 ( d, J = 8.5 Hz, 1H, H1 ) , 4.06-3.97 ( m, 3H, H5, H6, H6′ ) ; 3.86 ( dt, J = 8.8, 11.1 Hz, 1H, H2 ) ; 3.70 ( dt, J = 6.0, 9.9 Hz, 1H, -OCH2-CH2 ) ; 3.41 ( dt, J = 6.4, 9.9 Hz, 1H, -OCH2-CH2 ) ; 2.09 ( s, 3H, -COCH3 ) ; 2.03-1.96 ( m, 2H, -CH2- ) ; 1.99 ( s, 3H, -COCH3 ) ; 1.88 ( s, 3H, -COCH3 ) ; 1.75 ( s, 3H, -COCH3 ) ; 1.51-1.42 ( m, 2H, -CH2- ) ; 1.39-1.30 ( m, 2H, -CH2- ) ., Carbon-13 NMR : ( 101 MHz, DMSO-d 6 ) : δ 170.0, 169.9, 169.6, 169.1, 138.7, 114.7, 101.0, 70.4, 69.8, 68.6, 66.7, 61.5, 49.3, 39.9 32.8, 28.4, 24.5, 22.8, 20.5, 20.5., HRMS: calc. for C20H31NO9: 429.1999; found 429.1997., State is pale brown solid

Electric Literature of 1159408-65-7. I’m so glad you had the patience to read the whole article, if you want know more about 1159408-65-7, you can browse my other blog.

Reference:
CAS Method Number 3-353-CAS-9716164,
,CAS Method Number 3-367-CAS-11845945

COA of Formula: 1159408-65-7. Today I’d like to introduce a new chemical compound, CAS is 1159408-65-7, Name is 4,8-Dioxa-12,16-diazaheneicosanamide, 6-amino-11,17-dioxo-6-[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-N-[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]-21-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-, 2,2,2-trifluoroacetate, Formula is C81H129F3N10O38, Molecular Weight is 1907.93g/mol. Because of its complex structure and huge molecular weight, this compound is rarely understood. Now let me introduce some knowledge about its synthesis.

The general reactant of this compound is Phenylmethyl 8,14-dioxo-3,3-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-18-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-5-oxa-2,9,13-triazaoctadecanoate；Trifluoroacetic acid, Reagents is Acetic acid；Hydrogen, Catalyst(Palladium), Solvent is Methanol,Dichloromethane,Toluene, Products 4,8-Dioxa-12,16-diazaheneicosanamide, 6-amino-11,17-dioxo-6-[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-N-[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]-21-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-, 2,2,2-trifluoroacetate (1:1), Yield: 98%, Synthetic Methods procedure :1. Dissolve the reactant ( 56 g, 29 mmol ) in MeOH ( 300 mL ) and purge with argon., 2. Add 10 wt% Pd-C ( 5 g, wet Degussa type E101 NE/W ) and acetic acid ( 2.3 mL ) , and hydrogenate the reaction under normal pressure overnight., 3. Filter the reaction mixture through celite and evaporate the filtrate under reduced pressure., 4. Dissolve the residue in DCM/toluene ( 5:1, v/v ) , add trifluoroacetic acid ( TFA, 2.3 mL ) and stir the mixture for 30 minutes at room temperature., 5. Remove the solvents under reduced pressure., Transfornation (Hydrolysis or Hydrogenolysis of Amides/ Imides/ Carbamates. Characterization Data include ‘s Proton NMR Spectrum : ( 400 MHz, DMSO-d 6 ) : δ 8.06 ( brs, 3H, -NH3 + ) ; 7.88 ( t, J = 5.5 Hz, 3H, NH ) ; 7.82 ( d, J = 9.2 Hz, 3H, NH ) ; 7.76 ( t, J = 5.6 Hz, 3H, NH ) ; 5.20 ( d, J = 3.4 Hz, 3H, sugar H4 ) ; 4.95 ( dd, J = 3.4, 11.2 Hz, 3H, sugar H3 ) ; 4.47 ( d, J = 8.5 Hz, 3H, sugar H1 ) ; 4.07 – 3.97 ( m, 9H, sugar H5, H6, H6′ ) ; 3.86 ( dt, J = 8.9, 11.0 Hz, 3H, sugar H 2 ) ; 3.69 ( dt, J = 5.9, 9.8 Hz, 3H ) ; 3.63 ( t, J = 6.3 Hz, 6H ) ; 3.48-3.34 ( m, 9H ) ; 3.03 ( quintet, J = 6.6 Hz, 12H ) ; 2.33 ( t, J = 6.2 Hz, 6H ) ; 2.09 ( s, 9H ) ; 2.03 ( t, J = 7.1 Hz, 6H ) ; 1.99 ( s, 9H ) ; 1.89 ( s, 9H ) ; 1.76 ( s, 9H ) ; 1.56-1.38 ( m, 18H ) ., Carbon-13 NMR : ( 101 MHz, DMSO-d 6 ) : δ 172.0, 170.0, 169.9, 169.5, 169.3, 158.4, 158.1, 116.9, 114.0, 100.9, 70.4, 69.8, 68.6, 68.1, 67.6, 66.6, 61.3, 59.1, 49.3, 36.3, 36.2, 35.7, 35.0, 29.2, 28.5, 22.6, 21.8, 20.4, 20.3., Mass Spectrum: Mass calc. for free base C79H128N10O36: 1792.84; found: 1815.83 ( M+Na+, MALDI-TOF, matrix: HABA ) ., State is offwhite solid

COA of Formula: 1159408-65-7. I’m so glad you had the patience to read the whole article, if you want know more about 1159408-65-7, you can browse my other blog.

Reference:
CAS Method Number 3-353-CAS-9716164,
,CAS Method Number 3-367-CAS-11845945

Today I’d like to introduce a new chemical compound, CAS is 1159408-65-7, Name is 4,8-Dioxa-12,16-diazaheneicosanamide, 6-amino-11,17-dioxo-6-[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-N-[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]-21-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-, 2,2,2-trifluoroacetate, Formula is C81H129F3N10O38, Molecular Weight is 1907.93g/mol. Because of its complex structure and huge molecular weight, this compound is rarely understood. Now let me introduce some knowledge about its synthesis.. HPLC of Formula: 1159408-65-7

The general reactant of this compound is N-(Benzyloxycarbonyl)-6-aminohexanoic acid；4,8-Dioxa-12,16-diazaheneicosanamide, 6-amino-11,17-dioxo-6-[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-N-[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]-21-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-, 2,2,2-trifluoroacetate (1:1), Reagents is Diisopropylethylamine，1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide, Catalyst(), Solvent is Dimethylformamide, Products 12-Oxa-2,9,16,20-tetraazapentacosanoic acid, 8,15,21-trioxo-10,10-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-25-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-, phenylmethyl ester, Yield: 58%, Synthetic Methods procedure :1. Mix the reactant ( 0.333 g, 1.257 mmol ) in DMF ( 30 mL ) with HBTU ( 0.524 g, 1.38 mmol ) and DIEA ( 0.450 mL, 2.5 mmol ) , stir for 5 minutes., 2. Add a solution of the amine ( 1.60 g, 0.838 mmol ) in DMF ( 5 mL ) and stir the mixture overnight at room temperature., 3. Remove the solvents and volatiles under reduced pressure, dissolve the residue in DCM., 4. Purify the crude product by silica gel chromatography using EtOAc and 5-20% MeOH in DCM as eluents., , Transfornation (Acylation of Nitrogen Nucleophiles by Carboxylic Acids. Characterization Data include ‘s Proton NMR Spectrum : ( 500 MHz, DMSO-d 6 ) : δ 7.90-7.79 ( m, 6H, NH ) ; 7.74 ( t, J = 5.5 Hz, 3H, NH ) ; 7.37-7.26 ( m, 5H ) ; 7.20 ( t, J = 5.6 Hz, 1H, NH ) ; 6.98 ( s, 1H, NH ) , 5.20 ( d, J = 3.4 Hz, 3H, sugar H4 ) ; 4.98 ( s, 2H ) ; 4.95 ( dd, J = 3.4, 11.2 Hz, 3H, sugar H3 ) ; 4.48 ( d, J = 8.4 Hz, 3H, sugar H1 ) ; 4.07-3.95 ( m, 9H, sugar H5, H6, H6′ ) ; 3.86 ( dt, J = 8.8, 11.0 Hz, 3H, sugar H2 ) ; 3.69 ( dt, J = 6.0, 9.9 Hz, 3H ) ; 3.55-3.47 ( m, 12H ) ; 3.43-3.33 ( m, 3H ) ; 3.06-2.98 ( m, 12H ) ; 2.95 ( q, J = 6.8 Hz, 2H ) ; 2.27 ( t, J = 6.4 Hz, 6H ) ; 2.09 ( s, 9H ) ; 2.03 ( t, J = 7.1 Hz, 8H ) ; 1.98 ( s, 9H ) ; 1.89 ( s, 9H ) ; 1.76 ( s, 9H ) ; 1.54-1.33 ( m, 20H ) ; 1.28-1.16 ( m, 4H ) ., Carbon-13 NMR : ( 126 MHz, DMSO-d 6 ) : δ 172.4, 172.0, 170.1, 170.0, 169.9, 169.6, 169.4, 156.1, 137.3, 128.3, 127.8, 127.7, 101.0, 70.5, 69.8, 68.7, 68.3, 67.3, 66.7, 65.1, 61.4, 59.5, 53.2, 49.4, 41.6, 40.2, 36.4, 36.3, 36.0, 35.8, 35.0, 29.3, 29.2, 28.6, 25.9, 25.0, 22.8, 21.8, 20.5, 20.4., Mass Spectrum: Mass calc. for C93H145N11O39: 2039.97; found: 2062.90 ( M+Na, MALDI-TOF, matrix: HABA ) ., State is white foamy solid

I’m so glad you had the patience to read the whole article, if you want know more about 1159408-65-7, you can browse my other blog.. HPLC of Formula: 1159408-65-7

Reference:
CAS Method Number 3-353-CAS-9716164,
,CAS Method Number 3-367-CAS-11845945