tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate

HCID 10060623

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 158984-83-9
표준 SMILES: CC(C)(C)OC(=O)N1CCc2cc(O)ccc2C1
InChIKey: IVHHZZKGSYGTKZ-UHFFFAOYSA-N
분자식: C14H19NO3
평균 분자량: 249.3 g/mol
단동위원소 질량: 249.13649347

이름 및 식별자

우선 이름: tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
IUPAC: tert-butyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
영어명: tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
분자식: C14H19NO3
분자량: 249.31

이름 및 동의어

158984-83-9TERT-BUTYL 6-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATEDTXSID90434971RefChem:383703DTXCID90385797827-186-3N-Boc-6-hydroxy-3,4-dihydro-isoquinolinetert-butyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylateTert-butyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylateMFCD08275034CHEMBL1766978tert-butyl6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate

이름 더 보기

RMA-132-Boc-1,2,3,4-tetrahydroisoquinolin-6-ol6-hydroxy-2-N-Boc-3,4-dihydroisoquinoline2-N-Boc-6-Hydroxy-3,4-dihydroisoquinoline5-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylatetert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylattert-Butyl 6-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate

2(1H)-ISOQUINOLINECARBOXYLIC ACID, 3,4-DIHYDRO-6-HYDROXY-, 1,1-DIMETHYLETHYL ESTERN-tert-butoxycarbonyl-6-hydroxy-1,2,3,4-tetrahydroisoquinoline6-Hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl esterIVHHZZKGSYGTKZ-UHFFFAOYSA-NSCHEMBL450677SCHEMBL2095898SCHEMBL295908442-tert-Butoxycarbonyl-6-hydroxy-1,2,3,4-tetrahydroisoquinoline

데이터베이스 식별자

CAS: 158984-83-9
PubChem CID: 10060623
DTXSID: DTXSID90434971
ChEMBL: CHEMBL1766978
EC Number: 827-186-3
Nikkaji: J2.844.115K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 311

물리화학적 성질

녹는점: 110 · 110-111.5 °C
끓는 점: 391.4 · 391.4±42.0 °C(Predicted)
밀도: 1.17 · 1.170±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 9.79 · 9.79±0.20(Predicted)

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

HS 번호: 2933491090
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

공급사92 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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