(시스)-5-Boc-헥사하이드로-피롤로[3,4-b]피롤

rac-tert-butyl (3aR,6aR)-octahydropyrrolo(3,4-b)pyrrole-5-carboxylate

HCID 16227750

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 180975-51-3
표준 SMILES: CC(C)(C)OC(=O)N1C[C@@H]2CCN[C@@H]2C1
InChIKey: NYGXZCRPVBPJTA-DTWKUNHWSA-N
분자식: C11H20N2O2
평균 분자량: 212.29 g/mol

이름 및 식별자

우선 이름: rac-tert-butyl (3aR,6aR)-octahydropyrrolo(3,4-b)pyrrole-5-carboxylate
IUPAC: tert-butyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate
현지명: (시스)-5-Boc-헥사하이드로-피롤로[3,4-b]피롤
영어명: (cis)-5-Boc-Hexahydro-pyrrolo[3,4-b]pyrrole
분자식: C11H20N2O2
분자량: 212.29

이름 및 동의어

180975-51-3rac-tert-butyl (3aR,6aR)-octahydropyrrolo[3,4-b]pyrrole-5-carboxylaterac-tert-butyl (3aR,6aR)-octahydropyrrolo(3,4-b)pyrrole-5-carboxylateRefChem:874806820-623-9370882-55-6(3aS,6aS)-tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylatecis-5-Boc-1H-Hexahydropyrrolo[3,4-b]pyrroletert-butyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylateMFCD09040441cis-tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylateMFCD11045908

이름 더 보기

(시스)-5-Boc-헥사하이드로-피롤로[3,4-b]피롤5-Boc-Hexahydro-pyrrolo[3,4-b]pyrrole5-Boc-1H-Hexahydropyrrolo[3,4-b]pyrroletert-Butyl cis-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate(3aS,6aS)-1-tert-butyl-octahydropyrrolo[2,3-c]pyrrole-5-carboxylatecis-Hexahydropyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl esterrel-tert-Butyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

rel-(3aS,6aS)-tert-Butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylatetert-butyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylatetert-Butyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate(3AS, 6AS)-HEXAHYDRO-PYRROLO[3,4-B]PYRROLE-5-CARBOXYLIC ACID TERT-BUTYL ESTERCIS-TERT-BUTYLHEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE(3AS,6aS)-tert-Butyl hexahydropyrrolo-[3,4-b]pyrrole-5(1H)-carboxylate(cis)-5-Boc-Hexahydro-pyrrolo[3,4-b]pyrrole(3aS,6aS)-5-Boc-1H-hexahydropyrrolo[3,4-b]pyrrole

데이터베이스 식별자

CAS: 180975-51-3、370882-55-6
PubChem CID: 16227750
ChEMBL: CHEMBL4584582
EC Number: 820-623-9、884-854-7

물성

구조 계산 물성

XLogP: 0.9
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: 260

물리화학적 성질

끓는 점: 295.4 · 295.4±13.0 °C(Predicted)
밀도: 1.076 · 1.076
산도 계수 (pKa): 10.72 · 10.72±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도cis-Hexahydropyrrolo[3,4-b]pyrrole-5-carboxylic Acid tert-Butyl Ester is used in preparation of Pyridoindole for the treatment and prophylaxis of bacterial infection.