(2S,4S)-1-Benzyl 2-methyl 4-fluoropyrrolidine-1,2-dicarboxylate

HCID 11637722
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Basic information

CAS
72180-14-4
Standard SMILES
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)OCc1ccccc1
InChIKey
FDPGMTFRBRCTSR-RYUDHWBXSA-N
Molecular formula
C14H16FNO4
Average molar mass
281.28 g/mol
Monoisotopic mass
281.10633621

Names & identifiers

Preferred name
(2S,4S)-1-Benzyl 2-methyl 4-fluoropyrrolidine-1,2-dicarboxylate
IUPAC
1-O-benzyl 2-O-methyl (2S,4S)-4-fluoropyrrolidine-1,2-dicarboxylate
English name
（2s，4s）-1-benzyl-2-methy-4-fluoropyrrolidine-1，2-dicarbo
Molecular formula
C14H16FNO4
Molecular weight
281.28

Names & synonyms

72180-14-4(2S,4S)-1-BENZYL 2-METHYL 4-FLUOROPYRROLIDINE-1,2-DICARBOXYLATE1-benzyl 2-methyl (2S,4S)-4-fluoropyrrolidine-1,2-dicarboxylate1-O-benzyl 2-O-methyl (2S,4S)-4-fluoropyrrolidine-1,2-dicarboxylate(2S,4S)-1-benzyl-2-methy-4-fluoropyrrolidine-1,2-dicarboxylateSCHEMBL1336271DTXSID70469847FDPGMTFRBRCTSR-RYUDHWBXSA-N(2S,4S)-4-fluoro-1,2-Pyrrolidinedicarboxylic acid 2-methyl 1-(phenylmethyl) esterDB-074527CS-0301805EN300-7137817
Show more names
（2s，4s）-1-benzyl-2-methy-4-fluoropyrrolidine-1，2-dicarbo（2s，4s）-1-benzyl-2-methy-4-fluoropyrrolidine-1，2-dicarboxylate(2S,4S)-1-(Benzyloxycarbonyl)-2-(methoxycarbonyl)-4-fluoropyrrolidine1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 2-methyl 1-(phenylmethyl) ester, (2S,4S)-
methyl(2S,4S)-1-benzyloxycarbonyl-4-fluoropyrrolidine-2-carboxylate(2S,4S)-1-BENZYL2-METHYL4-FLUOROPYRROLIDINE-1,2-DICARBOXYLATE

Database identifiers

CAS
72180-14-4
PubChem CID
11637722
DTXSID
DTXSID70469847

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
20

Physicochemical properties

Boiling point
382.9 · 382.9±42.0 °C(Predicted)
Density
1.26 · 1.26±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
-5.73 · -5.73±0.60(Predicted)
HazardClass
IRRITANT

Safety & regulation

Safety data

hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers8 total

南通华祥医药科技有限公司+86-15716293042 15716293042 · [email protected]
上海相辉医药科技有限公司[email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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