4-Stilbenecarboxylic acid, 4'-chloro-alpha-cyano-

Base Information

• Chemical Name: 4-Stilbenecarboxylic acid, 4'-chloro-alpha-cyano-
• CAS No.: 73928-05-9
• Molecular Formula: C₁₆H₁₀ClNO₂
• Molecular Weight: 283.714
• Nikkaji Number: J87.109E
• Wikidata: Q76386360
• Mol file: 73928-05-9.mol

Synonyms:NSC 89111;4'-Chloro-alpha-cyano-4-stilbenecarboxylic acid;4-Stilbenecarboxylic acid, 4'-chloro-alpha-cyano-;BRN 3145540;4-09-00-03637 (Beilstein Handbook Reference);Benzoic acid, 4-(2-(4-chlorophenyl)-1-cyanoethenyl)-;73928-05-9;Benzoic acid, 4-[2-(4-chlorophenyl)-1-cyanoethenyl]-;LS-146786

Chemical Property of 4-Stilbenecarboxylic acid, 4'-chloro-alpha-cyano-

Chemical Property:

• Vapor Pressure: 5.96E-10mmHg at 25°C
• Boiling Point: 478.1°C at 760 mmHg
• Flash Point: 243°C
• PSA: 61.09000
• Density: 1.348g/cm³
• LogP: 4.10238
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 283.0400063
• Heavy Atom Count: 20
• Complexity: 421

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=C(C#N)C2=CC=C(C=C2)C(=O)O)Cl
• Isomeric SMILES: C1=CC(=CC=C1/C=C(/C#N)\C2=CC=C(C=C2)C(=O)O)Cl

Technology Process of 4-Stilbenecarboxylic acid, 4'-chloro-alpha-cyano-

There total 6 articles about 4-Stilbenecarboxylic acid, 4'-chloro-alpha-cyano- 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:

4-[(Z)-2-(4-chloro-phenyl)-1-cyano-vinyl]-benzoic acid ethyl ester (6273-33-2) → 4-[(Z)-2-(4-chloro-phenyl)-1-cyano-vinyl]-benzoic acid (73928-05-9)

Guidance literature:

With hydrogenchloride; acetic acid;

DOI:10.1021/jo50007a020

Reference yield:

4-bromomethylbenzoic Acid (6232-88-8) → 4-[(Z)-2-(4-chloro-phenyl)-1-cyano-vinyl]-benzoic acid (73928-05-9)

Guidance literature:

Multi-step reaction with 4 steps

1: methanol. H₂SO₄

2: NaCN

3: ethanolic sodium ethylate

4: HCl; acetic acid

With hydrogenchloride; sulfuric acid; sodium cyanide; sodium ethanolate; acetic acid;

DOI:10.1021/jo50007a020

Reference yield:

Methyl 4-(bromomethyl)benzoate (2417-72-3) → 4-[(Z)-2-(4-chloro-phenyl)-1-cyano-vinyl]-benzoic acid (73928-05-9)

Guidance literature:

Multi-step reaction with 3 steps

1: NaCN

2: ethanolic sodium ethylate

3: HCl; acetic acid

With hydrogenchloride; sodium cyanide; sodium ethanolate; acetic acid;

DOI:10.1021/jo50007a020

upstream raw materials:

4-[(Z)-2-(4-chloro-phenyl)-1-cyano-vinyl]-benzoic acid ethyl ester

4-bromomethylbenzoic Acid

Methyl 4-(bromomethyl)benzoate

para-bromotoluene

Downstream raw materials:

4'-chloro-trans-stilbene-4-carboxylic acid