(-)-Dibenzoyl-L-tartaric acid monohydrate

(-)-Dibenzoyl-L-tartaric acid monohydrate 구조식 이미지
카스 번호:
62708-56-9
상품명:
(-)-Dibenzoyl-L-tartaric acid monohydrate
동의어(영문):
L-DBTA;DIBENZOYL-L-TARTARIC ACID MONOHYDRATE;L-(-)-DBTA H2O;L-(-)-DBTA.2H2O;(-)-O,O'-DibenzoyL;(-)-Dibenzoyl-L-tart;-tartaric acid monohydrate;L-tartaric acid monohydrate;DI-O-BENZOYL-L-TARTARIC ACID;(-)-DIBENZOYL-L-TARTARIC ACID H2O
CBNumber:
CB6310345
분자식:
C18H16O9
포뮬러 무게:
376.31
MOL 파일:
62708-56-9.mol
MSDS 파일:
SDS

(-)-Dibenzoyl-L-tartaric acid monohydrate 속성

녹는점
88-89 °C(lit.)
알파
-115 º (c=5, ethanol)
굴절률
-108.5 ° (C=1, EtOH)
저장 조건
Store below +30°C.
물리적 상태
가루
색상
하얀색
optical activity
[α]20/D 110±3°, c = 5% in ethanol
수용성
녹는
BRN
4065263
InChI
InChI=1/C18H14O8.H2O/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;/h1-10,13-14H,(H,19,20)(H,21,22);1H2/t13-,14-;/s3
InChIKey
DXDIHODZARUBLA-DTPOWOMPSA-N
SMILES
[C@@H](C(=O)O)(OC(=O)C1C=CC=CC=1)[C@H](C(=O)O)OC(=O)C1C=CC=CC=1.O |&1:0,13,r|
CAS 데이터베이스
62708-56-9(CAS DataBase Reference)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xi
위험 카페고리 넘버 36
안전지침서 26-36-37/39
WGK 독일 3
RTECS 번호 WW8070000
F 고인화성물질 3
TSCA Yes
HS 번호 29181990
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
예방조치문구:
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
NFPA 704
1
2 0

(-)-Dibenzoyl-L-tartaric acid monohydrate C화학적 특성, 용도, 생산

화학적 성질

white to light yellow crystal powde

용도

(-)-Dibenzoyl-L-tartaric acid is used as an intermediate in pharmaceutical and agro chemical industries. It is used as chiral auxiliary in organic synthesis and as a resolution agent in the synthesis of rameleton.

일반 설명

(-)-O,O′-Dibenzoyl-L-tartaric acid monohydrate may be used as a chiral resolving agent for the resolution of racemic bioactive compounds such as (±)-3-(3-hydroxyphenyl)-N-(1-propyl)-piperidine and (±)-2-(5,6-dimethoxy-1,2,3,4-tetrahydro-1-naphthyl)-imidazoline to isolate the corresponding (-)-enantiomeric forms.

Purification Methods

Crystallise the acid from water (18g from 400 mL boiling H2O) and stir vigorously while cooling in order to obtain crystals; otherwise an oil will separate which solidifies on cooling. Dry it in a vacuum desiccator over KOH/H2SO4 (yield 16.4g) as monohydrate, m 88-89o. It crystallises from xylene as the anhydrous acid, m 173o (150-153o). It does not crystallise from *C6H6, toluene, *C6H6/pet ether (oil), or CHCl3/pet ether. [Butler & Cretcher J Am Chem Soc 55 2605 1933, Acs et al. Tetrahedron 41 2465 1985, R(+) Beilstein 9 IV 557, S(-) Beilstein 9 III 870.]

(-)-Dibenzoyl-L-tartaric acid monohydrate 준비 용품 및 원자재

원자재

준비 용품


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