PHENYL-D5-BORONIC ACID

PHENYL-D5-BORONIC ACID 구조식 이미지
카스 번호:
215527-70-1
상품명:
PHENYL-D5-BORONIC ACID
동의어(영문):
2,3,4,5,6-Pentadeuteriumbenzeneboronic Acid;9-bromo-10-(phenyl-d5)anthracene;PHENYL-D5-BORONIC ACID;Phenyl-d?-boronic acid;Deuterated phenylboronic acid;phenyl-d5-boronicacid98atom%d;PHENYL-D5-BORONIC ACID(D, 98%);(Perdeuterophenyl)boronic acid;B-(Phenyl-2,3,4,5,6-d5)boronic acid;Boronic acid,B-(phenyl-2,3,4,5,6-d5)-
CBNumber:
CB0121981
분자식:
C6H7BO2
포뮬러 무게:
121.93
MOL 파일:
215527-70-1.mol
MSDS 파일:
SDS

PHENYL-D5-BORONIC ACID 속성

녹는점
217-220 °C(lit.)
용해도
클로로포름(약간 용해됨), DMSO
물리적 상태
고체
물리적 상태
단단한 모양
색상
하얀색
안정성
흡습성
InChI
InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
InChIKey
HXITXNWTGFUOAU-RALIUCGRSA-N
SMILES
B(C1C([H])=C([H])C([H])=C([H])C=1[H])(O)O
CAS 데이터베이스
215527-70-1

안전

위험품 표기 Xn
위험 카페고리 넘버 22
안전지침서 36
WGK 독일 3
HS 번호 2931900090

PHENYL-D5-BORONIC ACID C화학적 특성, 용도, 생산

용도

Phenylboronic Acid-d5 is the isotope labelled analog of Phenylboronic Acid; a compound used in the organic synthesis of various pharmaceutical goods.

Synthesis

A dry three-neck flask equipped with a rubber septum, an addition funnel equipped with a rubber septum, and a condenser was charged under nitrogen with magnesium turnings. To the addition funnel was added D5-bromobenzene (6.5 mL, 62 mmol) (Aldrich) dissolved in a 1:1 mixture of THF/toluene (31 mL). Grignard reagent formation was observed after about after about 1 mL of the contents of the addition funnel had been added to the magnesium turnings. The remaining bromobenzene solution was added dropwise over a period of about 1 h. After the addition was complete the reaction mixture was heated at 70° C. for 1 h. The reaction mixture was cooled to room temperature and added via a canulating needled to an addition funnel on a second three-neck flask containing a solution of triethylborate (B(OEt)3) (10.5 mL, 62 mmol) in toluene (10 mL) maintained at 0° C. The solution of the freshly prepared Grignard reagent was then added dropwise to the solution of triethylborate over a period of 1 h. The cooling bath was then removed and the reaction mixture was allowed to stir at room temperature for 15 h. The reaction mixture was quenched with 10% H2SO4 (30 mL) and stirred at room temperature for 1 h. The layers were separated and the organic layer was dried over Na2SO4. After removal of the solvent, addition of hexane precipitated the product as an off-white solid, which was collected by filtration and dried to afford Phenyl-d5-boronic acid. Its yield: 3.50 g, 45%.

PHENYL-D5-BORONIC ACID 준비 용품 및 원자재

원자재

준비 용품


PHENYL-D5-BORONIC ACID 공급 업체

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