| Identification | More | [Name]
5-CHLORO-3-PHENYLANTHRANIL | [CAS]
719-64-2 | [Synonyms]
3-PHENYL-5-CHLOROANTHRANIL
3-PHENYL-5-CHLORO-BENZOISOXAZOLE
5-CHLORO-3-PHENYL-2,1-BENZISOXAZOLE
5-CHLORO-3-PHENYLANTHRANIL
5-CHLORO-3-PHENYLBENZO[C]ISOXAZOLE
TIMTEC-BB SBB007675
5-chloro-3-phenyl-1-benzisoxazole
5-Chloro-3-Phenylbenzoisoxazole
5-Chloro-3-phenylanthranil, 98+%
5-CHLORO-3-PHENYL-2,1-BENZISOXAZOLE, 98+%
5-chloro-3-phenylbenz[C]isoxazole
3-Phenyl-5-chloro-2,1-benzisoxazole | [EINECS(EC#)]
211-950-2 | [Molecular Formula]
C13H8ClNO | [MDL Number]
MFCD00014573 | [Molecular Weight]
229.66 | [MOL File]
719-64-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
115-117 °C(lit.) | [Boiling point ]
395.4±22.0 °C(Predicted) | [density ]
1.298 | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Crystalline Powder | [pka]
-4.98±0.30(Predicted) | [color ]
Yellow | [InChI]
InChI=1S/C13H8ClNO/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H | [InChIKey]
MUHJZJKVEQASGY-UHFFFAOYSA-N | [SMILES]
N1=C2C(C=C(Cl)C=C2)=C(C2=CC=CC=C2)O1 | [CAS DataBase Reference]
719-64-2(CAS DataBase Reference) | [EPA Substance Registry System]
2,1-Benzisoxazole, 5-chloro-3-phenyl- (719-64-2) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R36:Irritating to the eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37:Wear suitable gloves . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HS Code ]
2934.99.4400 |
| Hazard Information | Back Directory | [Uses]
5-Chloro-3-phenyl-2,1-benzisoxazole, is a Heterocyclic Building Block used for the synthesis of pharmaceuticals and other organic compounds. It is used in the synthesis of novel 2H-1, 4-benzodiazepine-2-ones as inhibitors of HIV-1 transcription.It can also be sued for the synthesis of Nitroacridinones derivatives. | [Synthesis]
General procedure for the synthesis of 5-chloro-3-phenylbenzo[c]isoxazoles from 2-amino-5-chlorobenzophenone: Oxone (0.270 g, 0.44 mmol) was added to (E)-1-(2-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one (1 g, 0.44 mmol) in a MeCN/H?O (2.5 mL/2.5 mL) solution. The reaction mixture was stirred at room temperature and the reaction progress was monitored by TLC and GC-MS. After stirring for 24 h, H?O (150 mL) and CH?Cl? (150 mL) were added for extraction. The organic layer was separated and the aqueous layer was further extracted with CH?Cl? The combined organic layers were washed with H?O, dried over anhydrous Na?SO?, filtered and concentrated. Purification by silica gel column chromatography (n-hexane/EtOAc, 98:2) afforded 3 g of the target product 2,1-benzisoxazole. | [References]
[1] Synthesis (Germany), 2016, vol. 48, # 18, p. 3017 - 3030
[2] Helvetica Chimica Acta, 1979, vol. 62, p. 185 - 197 |
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