피롤리딘,2-[비스[3,5-비스(트리플루오로메틸)페닐][(트리메틸실릴)옥시]메틸]-,(2R)-

(R)-alpha,alpha-Bis(3,5-bis(trifluoromethyl)phenyl)-2-pyrrolidinemethanol trimethylsilyl ether

HCID 16218311CAS 908303-26-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[Si](C)(C)OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCCN1
InChIKey: MOHRGTBNEJKFMB-LJQANCHMSA-N
분자식: C24H23F12NOSi
평균 분자량: 597.5 g/mol
단동위원소 질량: 597.1357288

이름 및 식별자

우선 이름: (R)-alpha,alpha-Bis(3,5-bis(trifluoromethyl)phenyl)-2-pyrrolidinemethanol trimethylsilyl ether
IUPAC: [bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane
현지명: 피롤리딘,2-[비스[3,5-비스(트리플루오로메틸)페닐][(트리메틸실릴)옥시]메틸]-,(2R)-
영어명: Pyrrolidine, 2-[bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl]-, (2R)-
분자식: C24H23F12NOSi
분자량: 597.51

이름 및 동의어

(R)-alpha,alpha-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol trimethylsilyl ether(R)-alpha,alpha-Bis(3,5-bis(trifluoromethyl)phenyl)-2-pyrrolidinemethanol trimethylsilyl etherRefChem:407369625-410-2908303-26-4(R)-2-(Bis(3,5-bis(trifluoromethyl)phenyl)((trimethylsilyl)oxy)methyl)pyrrolidineC24H23F12NOSiMFCD09750448[bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane(R)-A,a-bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol trimethylsilyl ether(2R)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl]-pyrrolidine(R)-2-(bis(3,5-bis(trifluoromethyl)phenyl)(trimethylsilyloxy)methyl)pyrrolidine

이름 더 보기

피롤리딘,2-[비스[3,5-비스(트리플루오로메틸)페닐][(트리메틸실릴)옥시]메틸]-,(2R)-(2R)-2-{bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)...(R)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]prolinol trimethylsilyl etherR-2-[bis[3,5-bis(trifluoroMethyl)phenyl][(triMethyl silyl)oxy]Methyl]-Pyrrolidine(2R)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl]pyrrolidine(R)-2-[(Bis(3,5-bis(trifluoroMethyl)phenyl)]triMethylsilanyloxy)Methyl]pyrrolidine(R)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol trimethylsilyl etherPyrrolidine, 2-[bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl]-, (2R)-(R)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]prolinol trimethylsilyl ether, CAS 908303-26-4(2R)-2-[Bis[3,5-bis(trifluoromethyl)phenyl]- [(trimethylsilyl)oxy]methyl]pyrrolidine,99%e.e.

(2R)-2-{Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine(R)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl]pyrrolidineMOHRGTBNEJKFMB-LJQANCHMSA-NSCHEMBL3006875DTXSID20584872AKOS016843318AS-42928SY256268

데이터베이스 식별자

CAS: 908303-26-4
PubChem CID: 16218311
DTXSID: DTXSID20584872
EC Number: 625-410-2
Nikkaji: J2.863.443I

물성

구조 계산 물성

극성 표면적: 21.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 14
회전 가능 결합 수: 5
무거운 원자 수: 39
형식 전하: 0
복잡도: 737

물리화학적 성질

녹는점: 46 · 46-55°C
끓는 점: 382.4 · 382.4±37.0 °C(Predicted)
밀도: 1.319 · 1.319±0.06 g/cm3(Predicted)
인화점: 110 ℃ · >110℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.34 · 9.34±0.10(Predicted)
색상: 흰색에서 황백색까지
InChIKey: MOHRGTBNEJKFMB-LJQANCHMSA-N
SMILES: C[Si](C)(C)OC([C@H]1CCCN1)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Catalyst involved in:Cyclocondensation of enals with methylenepyrrolidinesOrganocatalytic additions of β-ketosulfoxides to conjugated aldehydesOrganocatalytic aza-Michael reactionsStereoselective propargylic alkylation of propargylic esters with aldehydesEpoxidation or aziridination of α,β-unsaturated aldehydes and Feist-Benary reactions of 1,3-dicarbonyls