(S)-2-(2-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
Basic information
- CAS
706806-73-7- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1Br)C(=O)O- InChIKey
LRWBZPYAVUGRHS-KRWDZBQOSA-N- Molecular formula
- C17H22BrNO4
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 383.07322
Names & identifiers
- Preferred name
- (S)-2-(2-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-2-[(2-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
- English name
- BOC-(S)-ALPHA-(2-BROMOBENZYL)-PROLINE
- Molecular formula
- C17H22BrNO4
- Molecular weight
- 384.26
Names & synonyms
706806-73-7(S)-2-(2-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acidBOC-(S)-ALPHA-(2-BROMO-BENZYL)-PROLINEMFCD06797549(2S)-2-[(2-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid(2S)-2-[(2-bromophenyl)methyl]-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acidDTXSID30426259AKOS016843894(2S)-2-[(2-bromophenyl)methyl]-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acidBoc-(S)-|A-(2-bromo-benzyl)-prolineN-Boc-(S)-2-(2-bromobenzyl)-prolinePS-12545
Show more names
Boc-(S)-a-(2-bromo-benzyl)-prolineBoc-(S)-α-(2-bromo-benzyl)-prolineBOC-(S)-ALPHA-(2-BROMOBENZYL)-PROLINEN-(t-Butoxycarbonyl)-2-(2-bromobenzyl)-D-proline(Tert-Butoxy)Carbonyl (S)-Alpha-(2-bromo-benzyl)-Pro1,2-Pyrrolidinedicarboxylic acid, 2-[(2-bromophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CS-0439480G818342-[(2-Bromophenyl)methyl]-1-(tert-butoxycarbonyl)-D-proline
Database identifiers
- CAS
706806-73-7- PubChem CID
- 6958010
- DTXSID
DTXSID30426259- Nikkaji
- J1.945.774E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 485.1 · 485.1±35.0 °C(Predicted)
- Density
- 1.412 · 1.412±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.88 · 3.88±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Compound notes
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