(2Z)-2-(Benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid

Base Information

Chemical Name:(2Z)-2-(Benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid
CAS No.:639517-90-1
Molecular Formula:C22H16BrNO4
Molecular Weight:438.277
Hs Code.:
Nikkaji Number:J2.573.334G
Wikidata:Q27092886
Metabolomics Workbench ID:146357
ChEMBL ID:CHEMBL188442
Mol file:639517-90-1.mol

Synonyms:(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID;CHEMBL188442;639517-90-1;(Z)-2-benzamido-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid;1yvf;PH7;SCHEMBL4321755;BDBM50166405;DB01720;PD008474;2-benzamido-3-(4-(2-bromophenoxy)phenyl)acrylic acid;Q27092886;2-Benzoylamino-3-[4-(2-bromo-phenoxy)-phenyl]-acrylic acid;(Z)-2-Benzoylamino-3-[4-(2-bromo-phenoxy)-phenyl]-acrylic acid;(2z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid;(2Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(phenylcarbonyl)amino]prop-2-enoic acid

Suppliers and Price of (2Z)-2-(Benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic 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 9 raw suppliers

Chemical Property of (2Z)-2-(Benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid

Chemical Property:

PSA：75.63000
LogP:5.48780
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:437.02627
Heavy Atom Count:28
Complexity:565

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)OC3=CC=CC=C3Br)C(=O)O
Isomeric SMILES:C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)OC3=CC=CC=C3Br)/C(=O)O

Technology Process of (2Z)-2-(Benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid

There total 6 articles about (2Z)-2-(Benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic 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:

: 1055425-08-5
(Z)-2-Benzoylamino-3-[4-(2-bromo-phenoxy)-phenyl]-acrylic acid methyl ester

: 639517-90-1
(2Z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid

Guidance literature:: With lithium hydroxide; In 1,4-dioxane; at 25 ℃; for 2h;
DOI:10.1016/j.bmcl.2005.03.066

Reference yield:

: 95-56-7
2-hydroxybromobenzene

: 639517-90-1
(2Z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: K₂CO₃ / N,N-dimethyl-acetamide / 12 h / 150 °C

2: 1,8-diazabicyclo[5.4.0]undec-7-ene / CH₂Cl₂ / 2 h / 25 °C

3: aq. LiOH / dioxane / 2 h / 25 °C

With lithium hydroxide; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; dichloromethane; N,N-dimethyl acetamide;
DOI:10.1016/j.bmcl.2005.03.066

Reference yield:

: 459-57-4
4-fluorobenzaldehyde

: 639517-90-1
(2Z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: K₂CO₃ / N,N-dimethyl-acetamide / 12 h / 150 °C

2: 1,8-diazabicyclo[5.4.0]undec-7-ene / CH₂Cl₂ / 2 h / 25 °C

3: aq. LiOH / dioxane / 2 h / 25 °C

With lithium hydroxide; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; dichloromethane; N,N-dimethyl acetamide;
DOI:10.1016/j.bmcl.2005.03.066