(S,S)-Taddol

HCID 9852051CAS 93379-49-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC1(C)O[C@H](C(O)(c2ccccc2)c2ccccc2)[C@@H](C(O)(c2ccccc2)c2ccccc2)O1
InChIKey
OWVIRVJQDVCGQX-NSOVKSMOSA-N
분자식
C31H30O4
평균 분자량
466.6 g/mol
단동위원소 질량
466.21440944

이름 및 식별자

우선 이름
(S,S)-Taddol
IUPAC
[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
영어명
(+)-Taddol
분자식
C31H30O4
분자량
466.57

이름 및 동의어

93379-49-8(S,s)-taddolRefChem:211183(+)-Taddol((4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol)(+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolaneMFCD00010079(4S,5S)-Taddol[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol(4S,5S)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetraphenyldioxolane-4,5-dimethanolC31H30O4[(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis(diphenylmethanol)
이름 더 보기
((4S,5S)97.0%(LC)SEEBACH REAGENTbis(diphenylmethanol)(4S,5S)-2,2-Dimethyl-α(+)-4,5-Bis[hydroxy(diphenyLmeso-2,3-Diphenylsuccinonitrile>(+)-2,3-O-ISOPROPYLIDENE-1,1,4,4-TE
(4S,5S)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetraphenyldioxolane-4,5-dimethanol, 97%(S)-TaddolAM62783SCHEMBL4383952((4S,5S)-2,2-Dime(+)-2,3-O-Isopropylidene-1,1,4,4-tetraphenyl-D-threitolDTXSID701317964(+)-45-Bis[hydroxy(diphenyl)methyl]-22-dimethyl-13-dioxolane

데이터베이스 식별자

CAS
93379-49-8
PubChem CID
9852051
DTXSID
DTXSID701317964
Nikkaji
J231.888A

물성

구조 계산 물성

XLogP
5.2
극성 표면적
58.9 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
6
무거운 원자 수
35

물리화학적 성질

녹는점
193 · 193-196 °C(lit.)
끓는 점
633.2 · 633.2±50.0 °C(Predicted)
밀도
1.2 · 1.200±0.06 g/cm3(Predicted)
저장 조건
Inert atmosphere,Room Temperature
물리적 상태
powder to crystal
산도 계수 (pKa)
12.28 · 12.28±0.29(Predicted)

화학적 성질

white to light yellow crystal powde

안전 및 규제

유해성 정보

Regulatory Information1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-.alpha.,.alpha.,.alpha.',.alpha.'-tetraphenyl-, (4S,5S)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
HS 번호
29329990
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
26-36
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야

용도Ligand for enantioselective Lewis-acid mediated Diels-Alder, allyltitanation of aldehydes, and Michael-Mukaiyama additions promoted by chiral Ti-complexes.

제조 방법 · 1건

Preparative Methods of (4R,5R)-2,2-Dimethyl-4,5-bis(hydroxydiphenylmethyl)-1,3-dioxolane: chiral titanates are usually prepared by mixing dichlorodiisopropoxytitanium and a chiral 1,4-diol in toluene. Other solvents such as ether and dichloromethane can also be employed. The alcohol exchange reaction takes place immediately at rt. Wherever necessary, liberated isopropyl alcohol is removed by azeotropic removal with toluene. The chiral 1,4-diols are prepared from dimethyl (or diethyl) tartrate by a two-step procedure comprising acetalization followed by the addition of an aryl Grignard reagent.

상·하류 제품 정보

공급사50 곳

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