1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)- supplier

Name
BOC-TRANS-4-FLUORO-L-PROLINE METHYL ESTER
EINECS
CAS No. 203866-18-6
Article Data3
CAS DataBase
Density 1.168 g/cm³
Solubility Insoluble in water.
Melting Point 36-39°C
Formula C₁₁H₁₈FNO₄
Boiling Point 296.525 °C at 760 mmHg
Molecular Weight 247.267
Flash Point 133.134 °C
Transport Information
Appearance WHITE TO TAN SOLID, POWDER, CRYSTALS
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S-trans)-;
PSA 55.84000
LogP 1.44480

1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)- Specification

The CAS register number of 1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)- is 203866-18-6. It also can be called as (2S,4R)-4-Fluoropyrrolidine-1,2-dicarboxylic acid 1-tert-butyl 2-methyl diester and the systematic name about this chemical is 1-tert-butyl 2-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate. The molecular formula about this chemical is C₁₁H₁₈FNO₄ and the molecular weight is 247.26.

Physical properties about 1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)- are: (1)ACD/LogP: 0.95; (2)#Freely Rotating Bonds: 4; (3)Polar Surface Area: 55.84Å²; (4)Index of Refraction: 1.465; (5)Molar Refractivity: 58.6 cm³; (6)Molar Volume: 211.6 cm³; (7)Polarizability: 23.23x10^-24cm³; (8)Surface Tension: 36.3 dyne/cm; (9)Flash Point: 133.1 °C; (10)Enthalpy of Vaporization: 53.63 kJ/mol; (11)Boiling Point: 296.5 °C at 760 mmHg; (12)Vapour Pressure: 0.00143 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1[C@H](C(=O)OC)C[C@@H](F)C1
(2)InChI: InChI=1/C11H18FNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
(3)InChIKey: METPQQHVRNLTRX-SFYZADRCBA
(4)Std. InChI: InChI=1S/C11H18FNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
(5)Std. InChIKey: METPQQHVRNLTRX-SFYZADRCSA-N

Product Name

BOC-TRANS-4-FLUORO-L-PROLINE METHYL ESTER

1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)- Specification

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