1-Bromo-2,3-difluorobenzene

한글명:1-Bromo-2,3-difluorobenzene

카스 번호38573-88-5

상품명:1-Bromo-2,3-difluorobenzene

CBNumberCB8236717

분자식C6H3BrF2

포뮬러 무게192.99

MOL 파일38573-88-5.mol

화학적 성질

끓는 점	234 °C (765 mmHg)
밀도	1.724 g/mL at 25 °C(lit.)
굴절률	n20/D 1.509(lit.)
인화점	142 °F
저장 조건	2-8°C
물리적 상태	투명한 액체
색상	무색 내지 거의 무색
Specific Gravity	1.724
InChIKey	RKWWASUTWAFKHA-UHFFFAOYSA-N
CAS 데이터베이스	38573-88-5(CAS DataBase Reference)

위험 및 안전 성명

위험품 표기

Xi,F

위험 카페고리 넘버

36/37/38

안전지침서

26-36/37/39-37/39

유엔번호(UN No.)

1993

WGK 독일

위험 참고 사항

Flammable

위험 등급

3.2

포장분류

III

HS 번호

29039990

NFPA 704:

	2
2		0

그림문자(GHS)

1-Bromo-2,3-difluorobenzene 화학적 특성, 용도, 생산

화학적 성질
Clear colorless to peach liquid
용도
1-Bromo-2,3-difluorobenzene may be used in the synthesis of potent, orally active Calcitonin gene-related peptide (CGRP) receptor antagonist (BMS-846372). It may be used in the preparation of 2,3-difluorophenyl(dimethyl)phosphane.
일반 설명
Microbial oxidation of 1-bromo-2,3-difluorobenzene by Pseudomonas putida strain 39/D and Escherichia coli recombinant microorganism (strain JM 109(pDTG601)) has been reported.
Synthesis
Add 50% aqueous solution of KOH (18.0 g, 160 mmol) to a mixture of 1-bromo-5,5,6,6-tetrafluorocyclohex-1-ene (11.65 g) and triethylbenzylammonium chloride (0.15 g, 0.7 mmol) at 30-35°C for 30 minutes. Keep the reaction mixture at 75-85°C for 2 hours. Cool the reaction mixture. Dilute the reaction mixture with water. Extract the organic product with CH2Cl2. Dry the organic product over CaCl2. Distill the organic product. 1H NMR (CDCl3, 300.1 MHz), δ: 7.00-7.16 (m, 1H, Ar); 7.17-7.29 (m, 1H, Ar); 7.34-7.47 (m, 1H, Ar). 13C NMR (CDCl3, 75.5 MHz), δ: 110.40 (d, C(1), J = 17.5 Hz); 116.40 (d, C(4), J = 17.7 Hz); 124.70 (dd, C(5), J = 7.1 Hz, J = 5.0 Hz); 128.23 (d, C(6), J = 3.6 Hz); 148.10 (dd, C(2), J = 248.8 Hz, J = 14.3 Hz); 150.92 (dd, C(3), J = 251.9 Hz, J = 13.3 Hz). 19F NMR (CDCl3, 282.4 MHz), δ: -130.9 (m, 1 F, Ar), -134.8 (m, 1 F, Ar). BP 157-158°C. Elemental Analysis Found (%): C, 37.54; H, 1.50. C6H3BrF2. Calculated (%): C, 37.34; H, 1.52. Mass Spec MS, m/z (Irel (%)): 194, 192 [M]+ (100, 99), 113 [M-Br]+ (88), 63 (60).
Fig The synthetic method of 1-Bromo-2,3-difluorobenzene
저장
Keep container sealed and store in an ventilated, low temperature, dry warehouse, separate from foods and oxidizing agents.

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