612-40-8

Basic information

• Product Name: Benzoic acid,2-(2-carboxyethenyl)-
• Synonyms: 2-Carboxycinnamic acid;2-[(E)-2-Carboxyethenyl]benzoic acid
• CAS NO: 612-40-8
• Molecular Formula: C₁₀H₈O₄
• Molecular Weight: 190.1533
• EINECS: 210-308-9
• Product Categories: Aromatic Cinnamic Acids, Esters and Derivatives
• Mol File: 612-40-8.mol
• Article Data: 8

Chemical Properties

• Melting Point: 197-202 °C
• Boiling Point: 416.7 °C at 760 mmHg
• Flash Point: 219.9 °C
• Appearance: white crystalline powder
• Density: 1.396 g/cm³
• Vapor Pressure: 1.09E-07mmHg at 25°C
• Refractive Index: 1.4440 (estimate)
• PKA: 3.49±0.36(Predicted)
• BRN: 1870294
• CAS DataBase Reference: Benzoic acid,2-(2-carboxyethenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid,2-(2-carboxyethenyl)-(612-40-8)
• EPA Substance Registry System: Benzoic acid,2-(2-carboxyethenyl)-(612-40-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• Hazardous Substances Data: 612-40-8(Hazardous Substances Data)

Usage

Chemical Properties

white crystalline powder

InChI:InChI=1/C10H8O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)(H,13,14)/p-2/b6-5+

Upstream product

• 91-20-3 naphthalene 
• 125216-92-4 2-(2-cyano-vinyl)-benzoic acid 
• 524-42-5 1,2-naphthoquinone 
• 842-07-9 Sudan I 
• 135-19-3 β-naphthol 
• 28591-55-1 6-amino-7-hydroxy-benzocyclohepten-5-one 
• 7722-84-1 dihydrogen peroxide 
• 64-19-7 acetic acid 
• 39781-22-1 1-(phenyldiazenyl)naphthalen-2-yl acetate 
• 27510-48-1 (Z)-3-(2-cyanophenyl)prop-2-enoic acid 
• 88-67-5 2-Iodobenzoic acid 
• 79-10-7 acrylic acid 
• 51051-94-6 2-(prop-1-en-1-yl)naphthalene 
• 141-82-2 malonic acid 

Downstream Products

• 88-99-3 benzene-1,2-dicarboxylic acid 
• 1354004-74-2 2-[(E)-2-cyclohexylvinyl]benzoic acid 
• 1418317-27-7 (E)-2-(3,3,3-trifluoroprop-1-en-1-yl)benzoic acid 
• 491-30-5 1-isoquinolone 
• 81329-74-0 3-(2-(methoxycarbonyl)phenyl)propanoic acid 
• 25040-17-9 methyl 3-[2-(methoxycarbonyl)phenyl]propionate 
• 13797-31-4 1-oxo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid phenylamide 
• 1370650-88-6 methyl 2-(2-(3-phenylureido)ethyl)benzoate 
• 1370650-84-2 methyl 2-(2-isocyanatoethyl)benzoate 
• 1370650-78-4 methyl 2-(3-azido-3-oxopropyl)benzoate 
• 1370650-73-9 methyl 2-(3-chloro-3-oxopropyl)benzoate 

Relevant articles and documents

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Pd-Catalyzed decarboxylative cross-coupling reactions of epoxides with α,β-unsaturated carboxylic acids

A Pd-catalyzed decarboxylative cross-coupling of α,β-unsaturated carboxylic acids with cyclic and acyclic epoxides has been developed. Both β-monosubstituted and β-disubstituted unsaturated carboxylic acids, as well as conjugated diene unsaturated carboxylic acids are suitable reaction substrates. Substituted homoallylic alcohols were obtained in moderate to good yields. The product was obtained as a mixture of diastereomers favoring the anti diastereomer of the cyclic epoxides. This work provides a method for the modification of complex organic molecules containing α,β-unsaturated carboxylic acids.

Reductive electrochemical formation of 6H-dibenzo[b,d]pyran-6-one and 2-benzopyran-1(1H)-one

In the present Letter several carbolactones (oxidative products) are obtained under aprotic cathodic conditions in the preparative scaled electrolysis of 1,2-quinones in a divided electrochemical cell and in the presence of oxygen. When 9,10-phenanthrenequinone is reduced 6H-dibenzo[b,d]pyran-6-one and [1,1′-biphenyl]-2,2′-dicarboxylic acid are obtained as major products. In the reduction of 1,2-naphthoquinone, 2-benzopyran-1(1H)-one, and 2-(2-carboxyethenyl)-benzoic acid were formed as main products. The proposed mechanism to explain the formation of these and other products, that involves an electron-transfer reaction to the oxygen in air, is now discussed.