Basic information
- CAS
706806-77-1- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Br)cc1)C(=O)O- InChIKey
VQWRXYZZPMLJRL-KRWDZBQOSA-N- Molecular formula
- C17H22BrNO4
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 383.07322
Names & identifiers
- Preferred name
- (S)-2-(4-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-2-[(4-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
- English name
- Boc-(S)-alpha-(4-bromobenzyl)-proline
- Molecular formula
- C17H22BrNO4
- Molecular weight
- 384.26
Names & synonyms
706806-77-1(S)-2-(4-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acidBOC-(S)-ALPHA-(4-BROMO-BENZYL)-PROLINEMFCD06797551(2S)-2-[(4-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid1-Boc-(S)-2-(4-bromobenzyl)-proline(2S)-2-[(4-bromophenyl)methyl]-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acidDTXSID40426260(S)-2-(4-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylicacidAKOS016843895(2S)-2-[(4-bromophenyl)methyl]-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acidPS-12552
Show more names
Boc-(S)-α-(4-bromo-benzyl)-prolineBoc-(S)-a-(4-bromo-benzyl)-prolineBoc-(S)-alpha-(4-bromobenzyl)-prolineN-(t-Butoxycarbonyl)-2-(4-bromobenzyl)-D-proline(Tert-Butoxy)Carbonyl (S)-Alpha-(4-bromo-benzyl)-Pro1,2-Pyrrolidinedicarboxylic acid, 2-[(4-bromophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CS-0179109G818352-[(4-Bromophenyl)methyl]-1-(tert-butoxycarbonyl)-D-proline
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
- 454
Physicochemical properties
- Boiling point
- 488.6 · 488.6±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
Chemistry & industry
Suppliers21 total
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
GL Biochem (Shanghai) Ltd.+86-021-61263370 +86-18901917034
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海智乾生物科技有限公司[email protected]
康化（上海）新药研发有限公司021-61263370 18516560301 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…