기본 정보
- CAS
214630-00-9- 표준 SMILES
CC(C)(C)OC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)O- InChIKey
ZJYIVHWYSNWCSX-GFCCVEGCSA-N- 분자식
- C15H19NO5
- 평균 분자량
- 293.31 g/mol
- 단동위원소 질량
- 293.12632271
이름 및 식별자
- 우선 이름
- (3R)-2-((tert-butoxy)carbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
- IUPAC
- (3R)-7-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
- 영어명
- BOC-7-HYDROXY-D-TIC-OH
- 분자식
- C15H19NO5
- 분자량
- 293.32
이름 및 동의어
(3R)-2-[(tert-butoxy)carbonyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3R)-2-((tert-butoxy)carbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidRefChem:400775961-714-4214630-00-9(R)-2-(tert-Butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidBOC-7-HYDROXY-D-TIC-OHMFCD00792389Boc-(3R)-1,2,3,4-tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid(R)-7-Hydroxy-2-Boc-3,4-dihydro-isoquinoline-3-carboxylic acid(3r)-2-(tert-butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3R)-7-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
이름 더 보기
BOC-D-TIC(OH)-OHBOC-D-TIC(7-OH)-OHBOC-HYDROXY-D-TIC-OHBOC-D-HYDROXY-TIC-OHBOC-D-TIC(7-HYDROXY)-OH(Tert-Butoxy)Carbonyl D-7-Hydroxy-TicBoc-D-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline
(3R)-2-tert-butoxycarbonyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acidBoc-D-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic AcidZJYIVHWYSNWCSX-GFCCVEGCSA-NBoc-D-7-Hydroxy-TicSCHEMBL6508024SCHEMBL30254985DTXSID90426775AKOS016843578
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 87.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 417
물리화학적 성질
- 끓는 점
- 496.7 · 496.7±45.0 °C(Predicted)
- 밀도
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 산도 계수 (pKa)
- 2.91 · 2.91±0.20(Predicted)
화학적 성질
White to off-white powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도Boc-7-Hydroxy-D-tic-OH is an intermediate used to prepare highly potent and selective opioid κ receptor antagonists.
공급사51 곳
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
관련 반응
1건
화합물 노트
불러오는 중…