Tag: M.W=1000-2000

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.. Application of 1953146-81-0

The general reactant of this compound is β-D-Galactopyranoside, 5-hexen-1-yl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate, Reagents is Sodium periodate, Catalyst(Ruthenium dichloride), Solvent is Acetonitrile；Dichloromethane；Water, Products 5-[[3,4,6-Tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentanoic acid, Yield: 71%, Synthetic Methods procedure :1. Add 4.0 mol equiv. of sodium ( meta ) periodate ( 1375 g ) in water ( 3300 mL ) to a solution of reactant ( 687 g, 1.59 mol ) in DCM and MeCN ( 4000 mL 1:1 ) ., 2. Cool the mixture to 10 °C in a cold water bath and stir for 15 minutes., 3. Add ruthenium chloride ( 5.64 g, 0.027 mol ) to the cold reaction mixture, while maintaining the temperature at or below 35 °C by external cooling over the water bath., 4. Stir the reaction mixture at room temperature for 1 hour; add an additional 1 mol equiv. of sodium ( meta ) periodate ( 343 g ) and continue stirring for 1 hour at room temperature., 5. Confirm the completion of the reaction by TLC., 6. Dilute the reaction mixture with water ( 2 L ) and adjust the pH to 7.5 by adding solid NaHCO3., 7. Remove the DCM layer, wash the aqueous layer three times with DCM ( 2 L ) and discard the organic extracts., 8. Adjust the pH of aqueous layer to 3 by addition of citric acid and extract the carboxylic acid into DCM ( 3 x 4 L ) .9. Stir the organic layer with saturated brine ( 2 L ) , add 3% Na2S solution dropwise until the dark green organic phase turns to a pale yellow color.10. Separate the layers, dry the organic layer over anhydrous Na2SO4 and evaporate under reduced pressure., Transfornation (. Characterization Data include ‘s Proton NMR Spectrum : ( 400 MHz, DMSO-d 6 ) : δ 11.97 ( s, 1H, COOH ) ; 7.79 ( d, J = 9.2 Hz, 1H, NH ) ; 5.20 ( d, J = 3.4 Hz, 1H, H4 ) , 4.95 ( dd, J = 3.4, 11.2 Hz, 1H, H3 ) ; 4.48 ( d, J = 8.5 Hz, 1H, H1 ) ; 4.05-3.98 ( m, 3H, H5, H6, H6′ ) ; 3.86 ( dt, J = 8.9, 11.1 Hz, 1H, H2 ) ; 3.74-3.65 ( m, 1H, -OCH2-CH2 ) ; 3.45-3.37 ( m, 1H, -OCH2-CH2 ) ; 2.19 ( t, J = 7.0 Hz, 2H, -CH2-COOH ) ; 2.09 ( s, 3H, -COCH3 ) ; 1.99 ( s, 3H, -COCH3 ) ; 1.88 ( s, 3H, -COCH3 ) ; 1.76 ( s, 3H, -COCH3 ) ; 1.55-1.45 ( m, 4H, 2x ( -CH2 ) ) ., Carbon-13 NMR : ( 126 MHz, DMSO-d 6 ) : δ 174.4, 170.0, 169.9, 169.6, 169.3, 100.9, 70.5, 69.8, 68.4, 66.7, 61.4, 49.3, 33.2, 28.3, 22.7, 21.0, 20.5, 20.4, 20.4., Mass Spectrum: calc. for C19H29NO11: 447.1741; found 447.1743., State is offwhite solid

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

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.. SDS of cas: 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.. SDS of cas: 1159408-65-7

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