2-BOC-헥사하이드로-피롤로[3,4-C]피롤

Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate

HCID 4142526CAS 141449-85-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CC2CNCC2C1
InChIKey: FYUVLZRRIRGSTE-UHFFFAOYSA-N
분자식: C11H20N2O2
평균 분자량: 212.29 g/mol
단동위원소 질량: 212.15247788

이름 및 식별자

우선 이름: Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate
IUPAC: tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
현지명: 2-BOC-헥사하이드로-피롤로[3,4-C]피롤
영어명: 2-Boc-hexahydro-pyrrolo[3,4-c]pyrrole
분자식: C11H20N2O2
분자량: 212.29

이름 및 동의어

tert-butyl octahydropyrrolo[3,4-c]pyrrole-2-carboxylateHexahydropyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl esterTert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylateHexahydropyrrolo(3,4-c)pyrrole-2-carboxylic acid tert-butyl esterRefChem:896464676-383-9141449-85-6tert-butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate2-Boc-Hexahydro-pyrrolo[3,4-C]pyrrole2-BOC-Hexahydropyrrolo[3,4-c]pyrroleMFCD04115128tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate

이름 더 보기

2-BOC-헥사하이드로-피롤로[3,4-C]피롤2-Boc-hexahydro-pyrrpol[3...tert-butyl hexahydropyrrolo[34-c]pyrrole-2(1H)-carboxylatePyrrolo[3,4-c]Pyrrole-2(1H)-CaN-BOC-3,7-Diazabicyclo[3,3,0]octane2-Boc-Hexahydro-Pyrrol[3,4-c]Pyrrole

Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester2-BOC-HEXAHYDRO-PYRRPOL[3,4-C]PYRROLEHexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl estertert-butyl hexahydropyrrolo[3,4-c]-pyrrole-2(1H)-carboxylatetert-butyl (3as,6as)-rel-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate2-boc-octahydropyrrolo[3,4-c]pyrrole2-BOC-HSCHEMBL584860

데이터베이스 식별자

CAS: 141449-85-6
PubChem CID: 4142526
DTXSID: DTXSID40399849
EC Number: 676-383-9

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 248

물리화학적 성질

끓는 점: 295.4 · 295.4±33.0 °C(Predicted)
밀도: 1.076 · 1.076±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 10.72 · 10.72±0.20(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

HS 번호: 2933998090

화학 및 산업

응용 분야

용도2-Boc-Hexahydro-pyrrolo[3,4-C]pyrrole is an organic synthetic intermediate compound used in the preparation of anticancer agent compounds and sigma-2 ligands.