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

Name
（2s，4s）-1-benzyl-2-methy-4-fluoropyrrolidine-1，2-dicarbo
EINECS
CAS No. 72180-14-4
Article Data10
CAS DataBase
Density 1.267 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₆FNO₄
Boiling Point 382.901 °C at 760 mmHg
Molecular Weight 281.284
Flash Point 185.372 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 2-methyl 1-(phenylmethyl) ester, (2S-cis)-;(2S,4S)-1-(Benzyloxycarbonyl)-2-(methoxycarbonyl)-4-fluoropyrrolidine;
PSA 55.84000
LogP 1.84650

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

This chemical is called 1-Benzyl 2-methyl (2S,4S)-4-fluoropyrrolidine-1,2-dicarboxylate, and its CAS registry number is 72180-14-4. With the molecular formula of C₁₄H₁₆FNO₄, its molecular weight is 281.28.

Other characteristics of the 1-Benzyl 2-methyl (2S,4S)-4-fluoropyrrolidine-1,2-dicarboxylate can be summarised as followings: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 55.84 Å²; (7)Index of Refraction: 1.538; (8)Molar Refractivity: 69.424 cm³; (9)Molar Volume: 221.955 cm³; (10)Polarizability: 27.522×10^-24cm³; (11)Surface Tension: 45.701 dyne/cm; (12)Density: 1.267 g/cm³; (13)Flash Point: 185.372 °C; (14)Enthalpy of Vaporization: 63.137 kJ/mol; (15)Boiling Point: 382.901 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: F[C@H]2C[C@@H](C(=O)OC)N(C(=O)OCc1ccccc1)C2
2.InChI: InChI=1/C14H16FNO4/c1-19-13(17)12-7-11(15)8-16(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12-/m0/s1
3.InChIKey: FDPGMTFRBRCTSR-RYUDHWBXBL

Product Name

（2s，4s）-1-benzyl-2-methy-4-fluoropyrrolidine-1，2-dicarbo

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

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