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

Base Information

Chemical Name:(2S,4S)-1-Benzyl 2-methyl 4-fluoropyrrolidine-1,2-dicarboxylate
CAS No.:72180-14-4
Molecular Formula:C14H16FNO4
Molecular Weight:281.284
Hs Code.:2933990090
DSSTox Substance ID:DTXSID70469847
Wikidata:Q82297743
Mol file:72180-14-4.mol

Synonyms:72180-14-4;(2S,4S)-1-BENZYL 2-METHYL 4-FLUOROPYRROLIDINE-1,2-DICARBOXYLATE;(2S,4S)-1-benzyl-2-methy-4-fluoropyrrolidine-1,2-dicarboxylate;1-benzyl 2-methyl (2S,4S)-4-fluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4S)-4-fluoropyrrolidine-1,2-dicarboxylate;SCHEMBL1336271;DTXSID70469847;FDPGMTFRBRCTSR-RYUDHWBXSA-N;CS-0301805;EN300-7137817;methyl(2S,4S)-1-benzyloxycarbonyl-4-fluoropyrrolidine-2-carboxylate;(2S,4S)-1-BENZYL2-METHYL4-FLUOROPYRROLIDINE-1,2-DICARBOXYLATE;1,2-Pyrrolidinedicarboxylicacid,4-fluoro-,2-methyl 1-(phenylmethyl)ester,(2S,4S)-

Suppliers and Price of (2S,4S)-1-Benzyl 2-methyl 4-fluoropyrrolidine-1,2-dicarboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
(2S,4S)-1-Benzyl-2-methy-4-fluoropyrrolidine-1,2-dicarboxylate 91%
1g
$ 998.00

Crysdot
(2S,4S)-1-Benzyl2-methyl4-fluoropyrrolidine-1,2-dicarboxylate 95+%
1g
$ 579.00

Chemenu
(2S,4S)-1-Benzyl2-methyl4-fluoropyrrolidine-1,2-dicarboxylate 95%
1g
$ 547.00

American Custom Chemicals Corporation
(2S,4S)-1-BENZYL 2-METHYL 4-FLUOROCYCLOPENTANE-1,2-DICARBOXYLATE 95.00%
1G
$ 1674.75

Alichem
(2S,4S)-1-Benzyl2-methyl4-fluoropyrrolidine-1,2-dicarboxylate
1g
$ 590.85

AK Scientific
(2S,4S)-1-Benzyl-2-methy-4-fluoropyrrolidine-1,2-dicarboxylate
1g
$ 1397.00

Total 15 raw suppliers

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

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.538
Boiling Point:382.901 °C at 760 mmHg
PKA:-5.73±0.60(Predicted)
Flash Point:185.372 °C
PSA：55.84000
Density:1.267 g/cm³
LogP:1.84650
Storage Temp.:2-8°C
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:281.10633615
Heavy Atom Count:20
Complexity:357

Purity/Quality:

97% ^*data from raw suppliers

(2S,4S)-1-Benzyl-2-methy-4-fluoropyrrolidine-1,2-dicarboxylate 91% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1CC(CN1C(=O)OCC2=CC=CC=C2)F
Isomeric SMILES:COC(=O)[C@@H]1C[C@@H](CN1C(=O)OCC2=CC=CC=C2)F

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

There total 5 articles about (2S,4S)-1-Benzyl 2-methyl 4-fluoropyrrolidine-1,2-dicarboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

: 67-56-1
methanol

: 1235447-42-3
(2S,4S)-N-Cbz-4-fluoropyrrolidine-2-carbonyl fluoride

: 72180-14-4
N-<(phenylmethoxy)carbonyl>-4(S)-fluoro-(S)-proline methyl ester

Guidance literature:: In dichloromethane; at 20 ℃; for 1h;

Reference yield: 94.0%

: 64187-48-0
methyl (2S,4R)-1-benzyloxycarbonyl-4-hydroxypyrrolidine-2-carboxylate

: 72180-14-4
N-<(phenylmethoxy)carbonyl>-4(S)-fluoro-(S)-proline methyl ester

Guidance literature:: With (bis-(2-methoxyethyl)amino)sulfur trufluoride; In dichloromethane; at -78 - 20 ℃;

Reference yield:

: 13504-85-3
(2S,4R)-1-(benzyloxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

: 72180-14-4
N-<(phenylmethoxy)carbonyl>-4(S)-fluoro-(S)-proline methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 4-tert-butyl-2,6-dimethylphenylsulfur trifluoride / dichloromethane / 61 h / 0 - 20 °C / Inert atmosphere

2: triethylamine / dichloromethane / 1 h / 20 °C / Inert atmosphere

With 4-tert-butyl-2,6-dimethylphenylsulfur trifluoride; triethylamine; In dichloromethane;
DOI:10.1021/jo1025783