Category: 1953146-81-0

Computed Properties of 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 (2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[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]-1,1-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]ethyl]-1-pyrrolidinedodecanamide, Reagents is Triethylamine, Catalyst(4-(Dimethylamino)pyridine), Solvent is Acetonitrile, Products 1-[(3R,5S)-5-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-1-[1,12,19,25-tetraoxo-14,14-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]-29-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-16-oxa-13,20,24-triazanonacos-1-yl]-3-pyrrolidinyl] butanedioate, Yield: 100%, Synthetic Methods procedure :1. Dissolve reactant ( 29.20 g, 12.14 mmol ) , succinic anhydride ( 2.45 g, 24.28 mmol ) , polystyrene supported DMAP ( PS-DMAP, 16 g, 1.49 mmol/g, 2 equiv. ) and Et3N ( 10 mL ) in DCM and stir for 48 hours., 2. Filter the reaction mixture, dilute with DCM and wash with saturated brine., 3. Dry the organic layer over anhydrous Na2SO4., 4. Remove solvents and volatiles under reduced pressure., 5. Dry the residue under high vacuum overnight., Transfornation (Alcoholysis of Anhydrides.

Computed Properties of 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

Today I’d like to introduce a new chemical compound, CAS is 1953146-81-0, Quality Control of 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 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

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

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