4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid manufacturers
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| | 4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid Basic information |
| Product Name: | 4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid | | Synonyms: | P-(3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL)BENZOIC ACID;4-(3-trifluoromethyldiazirino)benzoic acid;p-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzoic ac;3-(4-Carboxyphenyl)-3-trifluoromethyldiazirine;Benzoic acid, 4-[3-(trifluoroMethyl)-3H-diazirin-3-yl]-;-3H-diazirin-3-yl);4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid≥ 97% (NMR);4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid | | CAS: | 85559-46-2 | | MF: | C9H5F3N2O2 | | MW: | 230.14 | | EINECS: | | | Product Categories: | Aromatics Compounds;Aromatics;Heterocycles | | Mol File: | 85559-46-2.mol |  |
| | 4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid Chemical Properties |
| Melting point | 110-112°C | | Boiling point | 298.6±50.0 °C(Predicted) | | density | 1.59±0.1 g/cm3 (20 ºC 760 Torr) | | storage temp. | Store at +2°C to +8°C. | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Solid | | pka | 4.15±0.10(Predicted) | | color | White to Pale Beige | | Major Application | peptide synthesis | | InChI | InChI=1S/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16) | | InChIKey | CZPAJVBVULSLGG-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=C(C2(C(F)(F)F)N=N2)C=C1 |
| WGK Germany | WGK 3 | | HS Code | 2933.99.8290 | | Storage Class | 11 - Combustible Solids |
| | 4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid Usage And Synthesis |
| Chemical Properties | White Solid | | Uses | A highly photolabile label fixable to biochemical agents. | | Uses | 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid is a photoreactive aromatic diazirine. | | General Description | A highly sensitive photocross-linker.activated at 300 nm for the preparation of photoactivatable biological probes [1]. | | reaction suitability | reaction type: Photoclick reactions | | Synthesis | Conversion of the bromo benzene derivative (I) to its Grignard compound and subsequent addition of N-trifluoroacetylpiperidine (II) gives the trifluoroacetophenone (III) which is converted to its oxime tosylate (V). This reacts with liquid ammonia to give the diaziridine ( VI). Further hypochlorite oxidation and cleavage of the oxazoline ring finally yields the desired acid (4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzoic acid, VIII) mentioned in the title.[1]
 | | References | [1] Y. HATANAKA Y. K H Nakayama. An improved synthesis of 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic acid for photoaffinity labeling[J]. Heterocycles, 1993, 35 1: 997-1004. DOI:10.3987/COM-92-S(T)93. |
| | 4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid Preparation Products And Raw materials |
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