(R-(R,R))-2-(2,2-Dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate

Base Information

Chemical Name:(R-(R*,R*))-2-(2,2-Dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate
CAS No.:492-79-5
Molecular Formula:C18H16 Cl2 N2 O6
Molecular Weight:427.241
Hs Code.:
European Community (EC) Number:207-760-4
DSSTox Substance ID:DTXSID50197712
Wikidata:Q83070494
Mol file:492-79-5.mol

Synonyms:EINECS 207-760-4;492-79-5;(R-(R*,R*))-2-(2,2-Dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate;DTXSID50197712

Suppliers and Price of (R-(R*,R*))-2-(2,2-Dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate

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 12 raw suppliers

Chemical Property of (R-(R*,R*))-2-(2,2-Dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate

Chemical Property:

Vapor Pressure:7.03E-16mmHg at 25°C
Boiling Point:612.9°Cat760mmHg
Flash Point:324.5°C
PSA：124.94000
Density:1.49g/cm³
LogP:3.84290
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:414.0385416
Heavy Atom Count:27
Complexity:665

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(C(CC=C1)(C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C(Cl)Cl
Isomeric SMILES:CCOC(=O)C1=C([C@@](CC=C1)(C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C(Cl)Cl

Technology Process of (R-(R*,R*))-2-(2,2-Dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate

There total 4 articles about (R-(R*,R*))-2-(2,2-Dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate 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: 45.0%

: 769-78-8,24991-32-0
vinyl benzoate

: 56-75-7,85666-84-8
chloramphenicol

: 492-79-5
(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl benzoate

Guidance literature:: With immobilised Pseudomonas cepacia lipase PSL-C I; In 1,4-dioxane; at 30 ℃; for 48h; regioselective reaction; Inert atmosphere; Enzymatic reaction;
DOI:10.1016/j.tet.2011.02.070

Reference yield:

: 10318-17-9
(1R,2R)-3-(acetyloxy)-2-[(dichloroacetyl)amino]-1-(4-nitrophenyl)propyl acetate

: 492-79-5
(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: Novozym 435 / acetonitrile / 24 h / 20 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction

2: immobilised Pseudomonas cepacia lipase PSL-C I / 1,4-dioxane / 48 h / 30 °C / Inert atmosphere; Enzymatic reaction

With Novozym 435; immobilised Pseudomonas cepacia lipase PSL-C I; In 1,4-dioxane; acetonitrile;
DOI:10.1016/j.tet.2011.02.070