(3R,4S)-1-(tert-Butoxycarbonyl)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
Basic information
- CAS
959574-90-4- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@H](c2ccc(O)cc2)C1- InChIKey
YEQAEEHLROODEZ-OLZOCXBDSA-N- Molecular formula
- C16H21NO5
- Average molar mass
- 307.34 g/mol
- Monoisotopic mass
- 307.14197277
Names & identifiers
- Preferred name
- (3R,4S)-1-(tert-Butoxycarbonyl)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
- IUPAC
- (3R,4S)-4-(4-hydroxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
- English name
- trans-1-Boc-4-(4-hydroxyphenyl)-pyrrolidine-3-carboxylic acid
- Molecular formula
- C16H21NO5
- Molecular weight
- 307.34
Names & synonyms
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid1392211-32-3959574-90-4(3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid(3R,4S)-4-(4-hydroxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid2098496-95-6(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acidDTXSID50719312(3R,4S)-1-tert-butoxycarbonyl-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acidCS-0053810P10385EN300-1071584
Show more names
trans-1-Boc-4-(4-hydroxyphenyl)-pyrrolidine-3-carboxylic acidBoc-(±)-trans-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid1,3-Pyrrolidinedicarboxylic acid, 4-(4-hydroxyphenyl)-, 1-(1,1-dimethylethyl) ester1,3-Pyrrolidinedicarboxylic acid, 4-(4-hydroxyphenyl)-, 1-(1,1-dimethylethyl) ester, (3S,4R)-
EN300-1454726F243401(3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylicacidrac-(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Boiling point
- 492.5 · 492.5±45.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.36 · 4.36±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
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Compound notes
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