(S)-tert-Butyl (3-hydroxy-1,1-diphenylpropan-2-yl)carbamate
Basic information
- CAS
155836-47-8- Standard SMILES
CC(C)(C)OC(=O)N[C@H](CO)C(c1ccccc1)c1ccccc1- InChIKey
OGVCRJDQGBIHAG-QGZVFWFLSA-N- Molecular formula
- C20H25NO3
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.18344366
Names & identifiers
- Preferred name
- (S)-tert-Butyl (3-hydroxy-1,1-diphenylpropan-2-yl)carbamate
- IUPAC
- tert-butyl N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]carbamate
- English name
- N-Boc-beta-phenyl-L-phenylalaninol
- Molecular formula
- C20H25NO3
- Molecular weight
- 327.42
Names & synonyms
155836-47-8(S)-tert-Butyl (3-hydroxy-1,1-diphenylpropan-2-yl)carbamateN-Boc-beta-phenyl-L-phenylalaninolMFCD01863566tert-butyl N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]carbamate3-Phenyl-L-phenylalaninol, N-BOC protected(S)-2-(Boc-amino)-3,3-diphenyl-1-propanolCarbamic acid, N-[(1S)-1-(hydroxymethyl)-2,2-diphenylethyl]-, 1,1-dimethylethyl esterOGVCRJDQGBIHAG-QGZVFWFLSA-NSCHEMBL2126887Boc-beta-phenyl-L-phenylalaninolDTXSID801365609
Show more names
N-(TERT-BUTOXYCARBONYL)-3-PHBoc-β-Phenyl-L-PhenylalaninolN-Boc-β-phenyl-L-phenylalaninolN-Boc-p-Phenyl-L-Phenylalaninol3-Phenyl-L-phenylalaninol, N-BOC protected 98%N-(TERT-BUTOZYCARBONYL)-3-PHENYL-L-PHENYLALANINOLn-(tert-butoxycarbonyl)-β-phenyl-l-phenylalaninol
AKOS015889759AC-4630CS-W013937BS-48979SY286539D87973F791256(S)-2-t-butoxycarbonylamino-3,3-diphenylpropan-1-ol
Database identifiers
- CAS
155836-47-8- PubChem CID
- 16213633
- DTXSID
DTXSID801365609- Nikkaji
- J1.273.530H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 114 · 114-116 °C(lit.)
- Boiling point
- 501.2 · 501.2±50.0 °C(Predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.72 · 11.72±0.46(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 155836 · 155836-47-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- WGK Germany
- 3 · 3
- HS Code
- 2922500090 · 2922500090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2922500090
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 45
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
1 records
Compound notes
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