| Identification | Back Directory | [Name]
4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID | [CAS]
85559-46-2 | [Synonyms]
-3H-diazirin-3-yl)
4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID
4-(3-trifluoromethyldiazirino)benzoic acid
3-(4-Carboxyphenyl)-3-trifluoromethyldiazirine
p-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzoic ac
P-(3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL)BENZOIC ACID
4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid
4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid≥ 97% (NMR)
Benzoic acid, 4-[3-(trifluoroMethyl)-3H-diazirin-3-yl]-
p-(3-(TrifluoroMethyl)-3H-diazirin-3-yl)benzoic acid, 4-(3-TrifluoroMethyldiazirino)benzoic acid, TDBA | [Molecular Formula]
C9H5F3N2O2 | [MDL Number]
MFCD00236809 | [MOL File]
85559-46-2.mol | [Molecular Weight]
230.14 |
| Chemical Properties | Back Directory | [Appearance]
White Solid | [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. ]
2-8°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 |
| Hazard Information | Back Directory | [Chemical Properties]
White Solid | [Uses]
A highly photolabile label fixable to biochemical agents. | [Uses]
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. |
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