tert-butyl (2S,4R)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

HCID 11078078CAS 114676-67-4

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CO
InChIKey: IIITUHPEBILIQR-QWHCGFSZSA-N
분자식: C16H33NO4Si
평균 분자량: 331.52 g/mol
단동위원소 질량: 331.21788507

이름 및 식별자

우선 이름: tert-butyl (2S,4R)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
IUPAC: tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
영어명: (2S,4R)-1-Boc-4-(tert-butyldiMethylsilyloxy)-2-(hydroxyMethyl)pyrrolidine
분자식: C16H33NO4Si
분자량: 331.52

이름 및 동의어

114676-67-4tert-Butyl (2S,4R)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylateTERT-BUTYL (2S,4R)-4-[(TERT-BUTYLDIMETHYLSILYL)OXY]-2-(HYDROXYMETHYL)PYRROLIDINE-1-CARBOXYLATERefChem:891763889-983-2(2S,4R)-1-Boc-4-(tert-butyldimethylsilyloxy)-2-(hydroxymethyl)pyrrolidineMFCD01862190288399-09-7(2S,4R)-tert-Butyl 4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylatetert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylateIIITUHPEBILIQR-QWHCGFSZSA-N(2S,4R)-TERT-BUTYL 4-(TERT-BUTYLDIMETHYLSILYLOXY)-2-(HYDROXYMETHYL)PYRROLIDINE-1-CARBOXYLATE

이름 더 보기

(2S,4R)-N-Boc-trans-4-OTBS-L-prolinol(2S,4R)-1-Boc-4-[(t-butyldimethylsilyl)oxy]-2-(hydroxymethyl)pyrrolidine4-(tert-Butyl-dimethyl-silanyloxy)-2-hydroxymethyl-pyrrolidine-1-carboxylic acid"(2S,4R)-4-(tert-butyldimethylsilyloxy)-1-(tert-butoxycarbonyl)-2-hydroxymethylpyrrolidine"1-Pyrrolidinecarboxylic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2S,4R)-

SCHEMBL142689DTXSID40454447XH0541AKOS022184076AS-32200rel-(2S,4R)-tert-Butyl 4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylateSY016381DB-361997

데이터베이스 식별자

CAS: 114676-67-4、153196-51-1
PubChem CID: 11078078
DTXSID: DTXSID40454447
EC Number: 889-983-2
Nikkaji: J2.119.078K

물성

구조 계산 물성

극성 표면적: 59 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 22
형식 전하: 0
복잡도: 398

물리화학적 성질

끓는 점: 373.4 · 373.4±27.0 °C(Predicted)
밀도: 1.02 · 1.02±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 14.77 · 14.77±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.