기본 정보
- CAS
110529-22-1- 표준 SMILES
CN1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1- InChIKey
XIJAGFLYYNXCAB-KRWDZBQOSA-N- 분자식
- C18H21NO
- 평균 분자량
- 267.4 g/mol
이름 및 식별자
- 우선 이름
- (S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine
- IUPAC
- [(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol
- 영어명
- (S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine
- 분자식
- C18H21NO
- 분자량
- 267.37
이름 및 동의어
(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine(S)-(+)-2-(Hydroxy(diphenyl)methyl)-1-methylpyrrolidineRefChem:407598634-571-8110529-22-1MFCD00145245[(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol(2s)-1-methyl-alpha,alpha-diphenyl-2-pyrrolidinemethanol(+)-(S)-(1-METHYLPYRROLIDIN-2-YL)DIPHENYLMETHANOL(S)-(1-methylpyrrolidin-2-yl)diphenylmethanol(s)-a,a-diphenylmethylprolinoll-diphenylmethylprolinol
이름 더 보기
(2S)-(+)-N-Methyl-α(s)-α,α-Diphenylmethylprolinol1,1-Diphenyl-N-methyl-L-prolinolα,α-diphenyl-n-methyl-l-prolinolà,à-diphenyl-n-methyl-l-prolinolα,α-Diphenyl-N-methyl-L-prolinol(S)-N-Methyl-alpha,alpha-diphenyl(-)-α,α-Diphenyl-N-methyl-D-prolinol
[(2S)-1-Methylpyrrolidin-2-yl](diphenyl)methanol[(2S)-1-methylpyrrolidin-2-yl]-diphenyl-methanol(S)-(+)-Diphenyl(1-methylpyrrolidin-2-yl)methanol(S)-Diphenyl-N-methyl-prolinolA,A-Diphenyl-N-methyl-L-prolinolAKOS015960678FD32780AC-11946
데이터베이스 식별자
- CAS
110529-22-1- PubChem CID
- 853009
- EC Number
- 634-571-8
- Nikkaji
- J256.580C
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 287
물리화학적 성질
- 녹는점
- 66 · 66-72 °C
- 끓는 점
- 406.8 · 406.8±25.0 °C(Predicted)
- 밀도
- 1.116 · 1.116±0.06 g/cm3(Predicted)
- 굴절률
- 55 ° · 55 ° (C=1, CHCl3)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 2 O, · sol hexane, benzene, toluene, Et2O, cyclohexane, dichloromethane
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 13.15 · 13.15±0.29(Predicted)
- 색상
- 흰색에서 연한 노란색
- BRN
- 4749387 · 4749387
- InChI
- 1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3/t17-/m0/s1
- InChIKey
- XIJAGFLYYNXCAB-KRWDZBQOSA-N
- SMILES
- CN1CCC[C@H]1C(O)(c2ccccc2)c3ccccc3
화학적 성질
white to slightly yellow crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 10-34
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine is used for chiral ligand for the enantioselective addition of dialkylzincs, alkynylzinc, and cyanomethylzinc bromide to aldehydes; chiral ligand for the enantioselective Reformatsky reaction; chiral ligand for the enantioselective Diels-Alder reaction; chiral auxiliary for asymmetric polymerization.
공급사84 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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