(R,R)-(+)-하이드로벤조인

(R,R)-Hydrobenzoin

HCID 853019CAS 52340-78-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIKey: IHPDTPWNFBQHEB-ZIAGYGMSSA-N
분자식: C14H14O2
평균 분자량: 214.26 g/mol
단동위원소 질량: 214.09937969

개요

(R,R)-hydrobenzoin is an ethanediol derivative and a hydrobenzoin.

이름 및 식별자

우선 이름: (R,R)-Hydrobenzoin
IUPAC: (1R,2R)-1,2-diphenylethane-1,2-diol
현지명: (R,R)-(+)-하이드로벤조인
영어명: (R,R)-(+)-Hydrobenzoin
분자식: C14H14O2
분자량: 214.26

이름 및 동의어

(1R,2R)-1,2-diphenylethane-1,2-diol(R,R)-hydrobenzoinCHEBI:50014RefChem:407492810-277-7(R,R)-(+)-Hydrobenzoin52340-78-0(+)-hydrobenzoinHydrobenzoin, (+)-(+)-Dihydrobenzoin(R,R)-(+)-StilbenediolMFCD00064254

이름 더 보기

(R,R)-(+)-하이드로벤조인(1R,2R)-(+)-1,2-DIPHENYL-1,2-ETHANEDIOL(R,R)-(+)-Hydrobenzoine(1R,2R)-(+)-HYDROBENZOIN(αR,βR)-Bibenzyl-α,β-diol(R,R)-(+)-Hydrobenzoin>(R,R)-(+)-Hydrobenzoin, 98+%(R,R)-(+)-1,2-DIPHENYLETHANEDIOL

WV0I33NONDHydrobenzoin D-form [MI](R,R)-(+)-1,2-Diphenyl-1,2-ethanediol(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol1,2-Ethanediol, 1,2-diphenyl-, (1R,2R)-1,2-Ethanediol, 1,2-diphenyl-, (1R,2R)-rel-(R,R)-1,2-Diphenylethylene glycolAKOS004908814

데이터베이스 식별자

CAS: 52340-78-0
PubChem CID: 853019
DTXSID: DTXSID40357388
ChEBI: CHEBI:50014
UNII: WV0I33NOND
EC Number: 810-277-7
Nikkaji: J236.668A

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 171

실험 및 물리화학적 성질

Physical DescriptionSolid

물리화학적 성질

녹는점: 146 · 146-149 °C(lit.)
끓는 점: 314.4 °C · 314.4°C (rough estimate)
밀도: 1.0781 · 1.0781 (rough estimate)
굴절률: 95 ° · 95 ° (C=1, CHCl3)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO에 용해됨
물리적 상태: 결정질 분말 또는 결정
산도 계수 (pKa): 13.38 · 13.38±0.20(Predicted)
색상: 흰색에서 베이지색 또는 연한 갈색
Merck: 14 · 14,4777
BRN: 2050815 · 2050815
InChI: InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1
InChIKey: IHPDTPWNFBQHEB-ZIAGYGMSSA-N
SMILES: [C@H](C1=CC=CC=C1)(O)[C@@H](C1=CC=CC=C1)O

화학적 성질

white to beige or light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

wgk: 3
HS 번호: 29062990
safety_code: 22-24/25
F 고인화성물질: 10
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

응용 분야 · 2건

용도(R,R)-(+)-Hydrobenzoin may be used in the oxyselenenylation step in the multi-step synthesis of cyclopentitols and aminocyclopentitols from cyclopentene. It may also be used as a ligand for the asymmetric addition of diethylzinc to aldehydes in the presence or absence of titanium tetra-isopropoxide to form (R)- or (S)-form of the corresponding secondary alcohol, respectively.

일반 설명(R,R)-(+)-Hydrobenzoin is a chiral 1,2-diol useful as a chiral reagent, building block, ligand or auxiliary in asymmetric synthesis.