2-(Cyanomethyl)benzoic acid manufacturers
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| | 2-(Cyanomethyl)benzoic acid Basic information | | Uses |
| | 2-(Cyanomethyl)benzoic acid Chemical Properties |
| Melting point | 126 °C | | Boiling point | 348.8±17.0 °C(Predicted) | | density | 1.257±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | form | solid | | pka | 3.66±0.36(Predicted) | | InChI | 1S/C9H7NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5H2,(H,11,12) | | InChIKey | AGXBHBJDSLZGAP-UHFFFAOYSA-N | | SMILES | OC(=O)c1ccccc1CC#N | | CAS DataBase Reference | 6627-91-4(CAS DataBase Reference) |
| WGK Germany | WGK 3 | | HS Code | 2916399090 | | Storage Class | 11 - Combustible Solids |
| | 2-(Cyanomethyl)benzoic acid Usage And Synthesis |
| Uses | 2-(Cyanomethyl)benzoic Acid react with substituted to synthesize 1-Aryl-2H-isoquinolin-3-ones. Also, it is used in the synthesis of 6-(3-Aminophenyl)-3-(phenylamino)isoquinolin-1(2H)-one which is an inhibitor of the dual-specificity phosphatase Cdc25B. | | Uses | 2-(Cyanomethyl)benzoic Acid react with substituted to synthesize 1-Aryl-2H-isoquinolin-3-ones. Also, it is used in the synthesis of 6-(3-Aminophenyl)-3-(phenylamino)isoquinolin-1(2H)-one which is an inhibitor of the dual-specificity phosphatase Cdc25B. | | Purification Methods | Crystallise the nitrile (with considerable loss) from *benzene, glacial acetic acid or H2O. The methyl ester has m 47-48o (from *C6H6). [Price & Rogers Org Synth Coll Vol III 174 1955, Beilstein 9 H 859, 9 II 618, 9 III 4267.] |
| | 2-(Cyanomethyl)benzoic acid Preparation Products And Raw materials |
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