Basic information
- CAS
115962-35-1- Standard SMILES
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O- InChIKey
HFPVZPNLMJDJFB-GFCCVEGCSA-N- Molecular formula
- C15H19NO4
- Average molar mass
- 277.31 g/mol
- Monoisotopic mass
- 277.13140809
Names & identifiers
- Preferred name
- (3R)-2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
- IUPAC
- (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
- English name
- Boc-D-Tic-OH
- Molecular formula
- C15H19NO4
- Molecular weight
- 277.32
Names & synonyms
(3R)-2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3R)-2-((tert-butoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidRefChem:400771625-175-6Boc-D-Tic-OH115962-35-1(R)-2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidBoc-D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acidBoc-D-TicMFCD00143818(3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid(3R)-2-(tert-butoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Show more names
BOC-(3R)-1(R)-N-BOC-1Boc-D-Tic-OohRARECHEM BK PT 0080BOC-D-TIC-OH USP/EP/BPN-t-Butyloxycarbonyl-D-1(Tert-Butoxy)Carbonyl D-Tic-OH
(3R)-2-tert-Butoxycarbonyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid11592-35-1N-Boc-D-Tic-OH2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester, (3R)-Oprea1_102082SCHEMBL2080858Boc-D-Tic-OH, >=97%SCHEMBL29707284
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 122 · 122-123℃
- Boiling point
- 420.18 °C · 420.18°C (rough estimate)
- Density
- 1.1311 · 1.1311 (rough estimate)
- refractive index
- 1.508 · 1.5080 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 3.88 · 3.88±0.20(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 115962 · 115962-35-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29334900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Chemistry & industry
Applications
UsesBOC-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid can be used as an organic synthesis intermediate. It can be obtained by protecting (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride with Boc, or by reacting L-Phe with aqueous formaldehyde solution and tert-butoxyanhydride.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海康恩博医药科技有限公司17510465506 · [email protected]
杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
江苏生康迈翔科技有限公司
Related reactions
10 records
Compound notes
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