(alphaR,betaS)-alpha-Hydroxy-beta-(benzoylamino)benzenepropionic acid 1-hydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-7beta-(chloroacetoxy)-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester

Base Information

Chemical Name:(alphaR,betaS)-alpha-Hydroxy-beta-(benzoylamino)benzenepropionic acid 1-hydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-7beta-(chloroacetoxy)-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester
CAS No.:162081-12-1
Molecular Formula:C₄₉H₅₂ClNO₁₅
Molecular Weight:930.403
Hs Code.:
Nikkaji Number:J1.607.636H
ChEMBL ID:CHEMBL299323

(alphaR,betaS)-alpha-Hydroxy-beta-(benzoylamino)benzenepropionic acid 1-hydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-7beta-(chloroacetoxy)-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester

Synonyms:CHEMBL299323;(alphaR,betaS)-alpha-Hydroxy-beta-(benzoylamino)benzenepropionic acid 1-hydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-7beta-(chloroacetoxy)-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester

Suppliers and Price of (alphaR,betaS)-alpha-Hydroxy-beta-(benzoylamino)benzenepropionic acid 1-hydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-7beta-(chloroacetoxy)-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of (alphaR,betaS)-alpha-Hydroxy-beta-(benzoylamino)benzenepropionic acid 1-hydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-7beta-(chloroacetoxy)-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:17
Exact Mass:929.3025476
Heavy Atom Count:66
Complexity:1940

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)CCl)C)OC(=O)C
Isomeric SMILES:CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)CCl)C)OC(=O)C

Technology Process of (alphaR,betaS)-alpha-Hydroxy-beta-(benzoylamino)benzenepropionic acid 1-hydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-7beta-(chloroacetoxy)-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester

There total 7 articles about (alphaR,betaS)-alpha-Hydroxy-beta-(benzoylamino)benzenepropionic acid 1-hydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-7beta-(chloroacetoxy)-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

: 632335-26-3
7-O-[2-(chloroacetyl)]-13-[(4S,5R)-2-p-methoxyphenyl-4-phenyl-3-[(2-phenyl-2-trimethylsilyl)ethoxycarbonyl]-1,3-oxazolidinyl-5-carbonyl] baccatin III

: 98-88-4
benzoyl chloride

: 162081-12-1
7-O-(2-chloroacetyl)paclitaxel

Guidance literature:: 7-O-[2-(chloroacetyl)]-13-[(4S,5R)-2-p-methoxyphenyl-4-phenyl-3-[(2-phenyl-2-trimethylsilyl)ethoxycarbonyl]-1,3-oxazolidinyl-5-carbonyl] baccatin III; With tetrabutyl ammonium fluoride; In dichloromethane; at 30 ℃; for 0.5h;

benzoyl chloride; With sodium hydrogencarbonate; In dichloromethane; water; at 0 - 30 ℃; for 0.583333h;

Reference yield: 80.0%

: 632335-28-5
7-O-[2-(chloroacetyl)]-13-[(4S,5R)-2-p-methoxyphenyl-4-phenyl-3-[(2-trimethylsilyl)ethoxy-carbonyl]-1,3-oxazolidinyl-5-carbonyl] baccatin III

: 98-88-4
benzoyl chloride

: 162081-12-1
7-O-(2-chloroacetyl)paclitaxel

Guidance literature:: 7-O-[2-(chloroacetyl)]-13-[(4S,5R)-2-p-methoxyphenyl-4-phenyl-3-[(2-trimethylsilyl)ethoxy-carbonyl]-1,3-oxazolidinyl-5-carbonyl] baccatin III; With trifluoroacetic acid; In water; at 18 - 22 ℃; for 4.5h;

With disodium hydrogenphosphate; In dichloromethane; water;

benzoyl chloride; With sodium hydrogencarbonate; In dichloromethane; water; at 0 - 5 ℃; for 0.583333h;

Reference yield: 80.0%

: 632335-29-6
7-chloroacetyl-13-[(4S,5R)-2,2'-dimethyl-4-phenyl-3-[(2-trimethylsilyl)ethoxycarbonyl]-1,3-oxazolidinyl-5-carbonyl] baccatin III

: 98-88-4
benzoyl chloride

: 162081-12-1
7-O-(2-chloroacetyl)paclitaxel

Guidance literature:: 7-chloroacetyl-13-[(4S,5R)-2,2'-dimethyl-4-phenyl-3-[(2-trimethylsilyl)ethoxycarbonyl]-1,3-oxazolidinyl-5-carbonyl] baccatin III; With trifluoroacetic acid; In water; at 22 ℃; for 4h;

With disodium hydrogenphosphate; In dichloromethane; water;

benzoyl chloride; With sodium hydrogencarbonate; In dichloromethane; water; at 0 - 32 ℃; for 2h;