(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylic acid

Base Information

Chemical Name:(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylic acid
CAS No.:1049977-93-6
Molecular Formula:C12H14FNO2
Molecular Weight:223.24
Hs Code.:
DSSTox Substance ID:DTXSID50376000
ChEMBL ID:CHEMBL4116826
Mol file:1049977-93-6.mol

Synonyms:(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylic acid;1049977-93-6;(2S,4R)-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylicacid;CHEMBL4116826;DTXSID50376000;MFCD17215176;AKOS016011050;(4R)-4-[(4-fluorophenyl)methyl]-L-Proline;A896094

Suppliers and Price of (2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylic acid

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

Crysdot
(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylicacid 95+%
1g
$ 780.00

Chemenu
(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylicacid 95%
1g
$ 729.00

American Custom Chemicals Corporation
(2S,4R)-4-(4-FLUOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID 95.00%
5MG
$ 502.36

American Custom Chemicals Corporation
(2S,4R)-4-(4-FLUOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID 95.00%
1G
$ 1575.00

Alichem
(2S,4R)-4-(4-fluorobenzyl)pyrrolidine-2-carboxylicacid
1g
$ 709.93

AK Scientific
(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylicacid
1g
$ 3224.00

AK Scientific
(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylicacid
250mg
$ 1317.00

Total 9 raw suppliers

Chemical Property of (2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylic acid

Chemical Property:

PSA：49.33000
LogP:1.75970
Storage Temp.:2-8°C
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:223.10085685
Heavy Atom Count:16
Complexity:251

Purity/Quality:

97% ^*data from raw suppliers

(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(CNC1C(=O)O)CC2=CC=C(C=C2)F
Isomeric SMILES:C1[C@H](CN[C@@H]1C(=O)O)CC2=CC=C(C=C2)F

Technology Process of (2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylic acid

There total 4 articles about (2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylic acid 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:

: di-tertbutyl (2S,4R)-4-(4-fluorobenzyl)pyrrolidine-1,2-dicarboxylate

: 1049977-93-6
(2S,4R)-4-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 5h;
DOI:10.1021/jm201533b

Reference yield:

: 1356352-04-9
C₂₁H₂₈FNO₅

: 1049977-93-6
(2S,4R)-4-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: lithium triethylborohydride / tetrahydrofuran / 0.5 h / -78 °C

1.2: 0.33 h / 0 °C

1.3: 2.5 h / -78 °C

2.1: trifluoroacetic acid / dichloromethane / 5 h / 20 °C

With lithium triethylborohydride; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm201533b

Reference yield:

: 35418-16-7,85136-12-5
L-t-butyl pyroglutamate

: 1049977-93-6
(2S,4R)-4-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: dmap / acetonitrile / 48.58 h / 0 - 20 °C

2.1: lithium hexamethyldisilazane / tetrahydrofuran / 3 h / -78 °C / Inert atmosphere

2.2: 2.17 h / -78 °C / Inert atmosphere

3.1: lithium triethylborohydride / tetrahydrofuran / 0.5 h / -78 °C

3.2: 0.33 h / 0 °C

3.3: 2.5 h / -78 °C

4.1: trifluoroacetic acid / dichloromethane / 5 h / 20 °C

With dmap; lithium triethylborohydride; trifluoroacetic acid; lithium hexamethyldisilazane; In tetrahydrofuran; dichloromethane; acetonitrile;
DOI:10.1021/jm201533b