5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-C]pyridine

HCID 10398680

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 230301-11-8
표준 SMILES: CC(C)(C)OC(=O)N1CCc2[nH]ncc2C1
InChIKey: BHYPERDTLBCHAE-UHFFFAOYSA-N
분자식: C11H17N3O2
평균 분자량: 223.27 g/mol
단동위원소 질량: 223.13207678

개요

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이름 및 식별자

우선 이름: 5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-C]pyridine
IUPAC: tert-butyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
영어명: tert-butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
분자식: C11H17N3O2
분자량: 223.27

이름 및 동의어

5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine1,1-dimethylethyl 2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate5-BOC-1,4,6,7-TETRAHYDROPYRAZOLO(4,3-C)PYRIDINE1,1-Dimethylethyl 2,4,6,7-tetrahydro-5H-pyrazolo(4,3-c)pyridine-5-carboxylateRefChem:532604810-603-8230301-11-8924869-27-2tert-butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylatetert-Butyl 6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylatetert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate5-BOC-4,5,6,7-TETRAHYDROPYRAZOLO[4,3-C]PYRIDINE

이름 더 보기

tert-butyl 1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylatetert-butyl 67-dihydro-1H-pyrazolo[43-c]pyridine-5(4H)-carboxylate5-Boc-4,5,6,7-Tetrahydropyrazolo[4,3-c]t-Butyl 1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate5-t-Butoxycarbonyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridinetert-Butyl 6,7-dihydro-1H-pyrazolo4,3-cpyridin-5(4H)--carboxylate

tert-butyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylateMFCD08059268tert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo-[4,3-c]pyridine-5-carboxylate5-Boc-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridinetert-butyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 1,4,6,7-tetrahydro-, 1,1-dimethylethyl estertert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylateMFCD08689720

데이터베이스 식별자

CAS: 230301-11-8、924869-27-2
PubChem CID: 10398680
DTXSID: DTXSID00945720
EC Number: 810-603-8

물성

구조 계산 물성

XLogP: 1
극성 표면적: 58.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 275

물리화학적 성질

끓는 점: 388 · 388.0±42.0 °C(Predicted)
밀도: 1.2 · 1.200±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.81 · 14.81±0.20(Predicted)
InChI: InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-8(7-14)6-12-13-9/h6H,4-5,7H2,1-3H3,(H,12,13)
InChIKey: BHYPERDTLBCHAE-UHFFFAOYSA-N
SMILES: C1N(C(OC(C)(C)C)=O)CCC2NN=CC1=2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.