alpha-(Acetylamino)-3-bromo-4-fluorobenzeneacrylic acid

Base Information

Chemical Name:alpha-(Acetylamino)-3-bromo-4-fluorobenzeneacrylic acid
CAS No.:1361513-62-3
Molecular Formula:C₁₁H₉BrFNO₃
Molecular Weight:302.1
Hs Code.:
DSSTox Substance ID:DTXSID901170586
Nikkaji Number:J2.959.203I

Synonyms:1361513-62-3;DTXSID901170586;alpha-(Acetylamino)-3-bromo-4-fluorobenzeneacrylic acid;(2Z)-2-(Acetylamino)-3-(3-bromo-4-fluorophenyl)-2-propenoic acid

Suppliers and Price of alpha-(Acetylamino)-3-bromo-4-fluorobenzeneacrylic acid

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 alpha-(Acetylamino)-3-bromo-4-fluorobenzeneacrylic acid

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:300.97498
Heavy Atom Count:17
Complexity:346

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)NC(=CC1=CC(=C(C=C1)F)Br)C(=O)O
Isomeric SMILES:CC(=O)N/C(=C\C1=CC(=C(C=C1)F)Br)/C(=O)O

Technology Process of alpha-(Acetylamino)-3-bromo-4-fluorobenzeneacrylic acid

There total 2 articles about alpha-(Acetylamino)-3-bromo-4-fluorobenzeneacrylic acid 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: 72.0%

: 1361513-61-2
(Z)-methyl 2-acetamido-3-(3-bromo-4-fluorophenyl)acrylate

: 1361513-62-3
(Z)-2-acetamido-3-(3-bromo-4-fluorophenyl)acrylic acid

Guidance literature:: (Z)-methyl 2-acetamido-3-(3-bromo-4-fluorophenyl)acrylate; With potassium hydroxide; In 1,4-dioxane; methanol; at 20 ℃; Inert atmosphere;

With potassium hydrogensulfate; In 1,4-dioxane; methanol; pH=2 - 3; Inert atmosphere;
DOI:10.1002/chem.201103014

Reference yield:

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 1361513-62-3
(Z)-2-acetamido-3-(3-bromo-4-fluorophenyl)acrylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 0.25 h / 20 °C / Inert atmosphere

1.2: 20 °C / Inert atmosphere

2.1: potassium hydroxide / 1,4-dioxane; methanol / 20 °C / Inert atmosphere

2.2: pH 2 - 3 / Inert atmosphere

With 1,8-diazabicyclo[5.4.0]undec-7-ene; potassium hydroxide; In 1,4-dioxane; methanol; dichloromethane;
DOI:10.1002/chem.201103014

Reference yield:

: 1361513-62-3
(Z)-2-acetamido-3-(3-bromo-4-fluorophenyl)acrylic acid

: 880348-28-7
(S)-2-acetylamino-3-(3-bromo-4-fluorophenyl)propionic acid

Guidance literature:: With bis(norbornadiene)rhodium(l)tetrafluoroborate; C₆₀H₄₆O₄P₂; hydrogen; In methanol; at 20 ℃; for 18h; under 15001.5 Torr; optical yield given as %ee; enantioselective reaction; Inert atmosphere; Autoclave;
DOI:10.1002/chem.201103014