2-Styrylbenzoic acid

Base Information

• Chemical Name: 2-Styrylbenzoic acid
• CAS No.: 5079-90-3
• Molecular Formula: C15H12 O2
• Molecular Weight: 224.259
• NSC Number: 143605
• UNII: S601S8Z806
• Nikkaji Number: J3.039.507G,J860.819I
• Wikidata: Q27288703
• Mol file: 5079-90-3.mol

Synonyms:2-Styrylbenzoic acid;5079-90-3;2-[(E)-2-Phenylethenyl]benzoic acid;2-Stilbenecarboxylic acid, (E)-;(E)-2-Styrylbenzoic acid;Stilbene-2-carboxylic acid;NSC-143605;trans-2-Stilbenecarboxylic acid;2-Stilbenecarboxylic acid, trans-;Benzoic acid, 2-(2-phenylethenyl)-;(E)-2-(2-Phenylethenyl)benzoic acid;S601S8Z806;60901-21-5;Benzoic acid, 2-((1E)-2-phenylethenyl)-;o-Stilbenecarboxylic acid;2-Stilbenecarboxylic acid;UNII-O11QCO6ESS;O11QCO6ESS;(E)-o-stilbenecarboxylic acid;(E)-2-stilbenecarboxylic acid;2-(2-phenylvinyl)benzoic acid;SCHEMBL1019981;SCHEMBL2291774;UNII-S601S8Z806;MGJDPQKVELOHMT-ZHACJKMWSA-N;NSC143605;AKOS005067401;2-[(E)-2-Phenylethenyl]benzoic acid #;AE-641/00133053;Q27288703

Chemical Property of 2-Styrylbenzoic acid

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 224.083729621
• Heavy Atom Count: 17
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC2=CC=CC=C2C(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C2=CC=CC=C2C(=O)O

Technology Process of 2-Styrylbenzoic acid

There total 55 articles about 2-Styrylbenzoic 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: 99.0%

Methyl 2-styrylbenzoate (63104-88-1) → o-styrylbenzoic acid (60901-21-5,5079-90-3,66374-10-5)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; water; at 70 ℃; for 12h;

DOI:10.1002/adsc.201700369

Reference yield: 99.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + ortho-carboxybenzenediazonium tetrafluoroborate (14783-89-2) → o-styrylbenzoic acid (60901-21-5,5079-90-3,66374-10-5)

Guidance literature:

With palladium diacetate; In ethanol; at 80 ℃; for 0.166667h; Air atmosphere;

DOI:10.1016/j.tetlet.2011.09.014

Reference yield: 98.0%

(E)-2-styrylbenzamide (63404-82-0) → (E)-2-styrylbenzoic acid (5079-90-3)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 8h; Reflux;

DOI:10.1021/ja109676d

upstream raw materials:

3-benzyl-3H-isobenzofuran-1-one

2-thiophthalide

benzaldehyde

styrene

Downstream raw materials:

(Z)-2-(2-phenylethenyl)benzoic acid

2,2'-(3,4-diphenyl-cyclobutane-1,2-diyl)-di-benzoic acid

ethyl (E)-2-styrylbenzoate

(+/-)-erythro-α,α'-dibromo-bibenzyl-2-carboxylic acid

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