(3R)-2-((tert-butoxy)carbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Grundinformationen
- CAS
214630-00-9- Standard-SMILES
CC(C)(C)OC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)O- InChIKey
ZJYIVHWYSNWCSX-GFCCVEGCSA-N- Summenformel
- C15H19NO5
- Durchschnittliche Molmasse
- 293,31 g/mol
- Monoisotopische Masse
- 293,12632271
Namen und Bezeichner
- Bevorzugter Name
- (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
- Englischer Name
- BOC-7-HYDROXY-D-TIC-OH
- Summenformel
- C15H19NO5
- Molmasse
- 293.32
Namen und Synonyme
(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
Weitere Namen anzeigen
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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 87,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 417
Physikochemische Eigenschaften
- Siedepunkt
- 496.7 · 496.7±45.0 °C(Predicted)
- Dichte
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 2.91 · 2.91±0.20(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
VerwendenBoc-7-Hydroxy-D-tic-OH is an intermediate used to prepare highly potent and selective opioid κ receptor antagonists.
Anbieter51 Anbieter
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]
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上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
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