(S)-(-)-ALPHA,ALPHA-DIPHENYL-2-PYR롤리디닐메틸에테르
(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether
기본 정보
- CAS
848821-58-9- 표준 SMILES
C[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1- InChIKey
RSUHWMSTWSSNOW-IBGZPJMESA-N- 분자식
- C20H27NOSi
- 평균 분자량
- 325.5 g/mol
- 단동위원소 질량
- 325.18619102
이름 및 식별자
- 우선 이름
- (S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether
- IUPAC
- [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
- 현지명
- (S)-(-)-ALPHA,ALPHA-DIPHENYL-2-PYR롤리디닐메틸에테르
- 영어명
- (S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinyl methyltms ether
- 분자식
- C20H27NOSi
- 분자량
- 325.52
이름 및 동의어
(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol trimethylsilyl etherRefChem:407704628-584-8848821-58-9(S)-2-(Diphenyl((trimethylsilyl)oxy)methyl)pyrrolidine(2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethyl-silaneMFCD08690083[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilaneC20H27NOSi(S)-(-)-[(Diphenyl)trimethylsiloxymethyl]pyrrolidinePyrrolidine, 2-[diphenyl[(trimethylsilyl)oxy]methyl]-, (2S)-
이름 더 보기
(S)-(-)-ALPHA,ALPHA-DIPHENYL-2-PYR롤리디닐메틸에테르S-Diphenylprolinol trimethyl silyl ether(2s)-2-[diphenyl[(trimethylsilyl)oxy]methyl]pyrrolidine(S)-Diphenylprolinol Trimethyl Silyl Ether,99%e.e.(S)-(-)-α,α-Diphenyl-2-pyrrolidoneMethanoe triMethylsilys ether(S)-(–)-α,α-DiphenyL(S)-Hayashi-Jorgensen CatalystJorgenson-Hayashi organocatalyst[(DIPHENYL)TRIMETHYLSILOXYMETHYL]PYRROLIDINE
RSUHWMSTWSSNOW-IBGZPJMESA-N(R)-2-(DIPHENYL(TRIMETHYLSILYLOXY)METHYL)PYRROLIDINESCHEMBL2574515DTXSID50458512CS-B0740AKOS015840590s25143AS-10194
데이터베이스 식별자
- CAS
848821-58-9- PubChem CID
- 11198150
- DTXSID
DTXSID50458512- EC Number
- 628-584-8
- Nikkaji
- J2.212.714D
물성
구조 계산 물성
- 극성 표면적
- 21.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 348
물리화학적 성질
- 끓는 점
- 412.7 · 412.7±35.0 °C(Predicted)
- 밀도
- 1.0459 g/mL · 1.0459 g/mL at 25 °C
- 굴절률
- 20 · n20/D 1.5513
- 인화점
- 110 °C · 110 °C
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 10.01 · 10.01±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 노란색
- InChI
- InChI=1S/C20H27NOSi/c1-23(2,3)22-20(19-15-10-16-21-19,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19,21H,10,15-16H2,1-3H3/t19-/m0/s1
- InChIKey
- RSUHWMSTWSSNOW-IBGZPJMESA-N
- SMILES
- N1CCC[C@H]1C(C1=CC=CC=C1)(C1=CC=CC=C1)O[Si](C)(C)C
화학적 성질
Light yellow liquid
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 41 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
- tsca
- No
- ridadr
- UN1294 - class 3 - PG 2 - Toluene, solution
- HS 번호
- 29339900
- risk_code
- 36/37/38-67-65-48/20-38-11-63
- hazard_code
- Xi,Xn,F
- safety_code
- 26-62-36/37-16
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Organocatalyst for 3-component reactions, and Robinson annulation of α,β-unsaturated aldehydes.
상·하류 제품 정보
상류 원료
관련 반응
133건
HRID 1812440촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812451촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812462촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812473촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812484촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812495촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
화합물 노트
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