Boc-alpha-(4-fluorobenzyl)-DL-proline

Base Information

Chemical Name:Boc-alpha-(4-fluorobenzyl)-DL-proline
CAS No.:351002-78-3
Molecular Formula:C17H22 F N O4
Molecular Weight:323.36
Hs Code.:2933990090
DSSTox Substance ID:DTXSID60394351
Mol file:351002-78-3.mol

Synonyms:351002-78-3;Boc-alpha-(4-fluorobenzyl)-DL-proline;Boc-alpha-(4-fluorobenzyl)-DL-Pro-OH;2-[(4-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid;Boc-|A-(4-fluorobenzyl)-DL-Pro-OH;SCHEMBL2252202;DTXSID60394351;Boc--(4-fluorbenzyl)-dl-pro-oh;HY-W142057;Boc- alpha -(4-fluorobenzyl)-DL-Pro-OH;CS-0201842;FT-0721383;FT-0771944;FT-0772944;J-019889;Boc-alpha-(4-fluorobenzyl)-DL-Pro-OH, >=96.0% (HPLC);1-[(tert-butoxy)carbonyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid

Suppliers and Price of Boc-alpha-(4-fluorobenzyl)-DL-proline

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

American Custom Chemicals Corporation
BOC-ALPHA-(4-FLUOROBENZYL)-DL-PRO-OH 95.00%
500MG
$ 882.27

Sigma-Aldrich
Boc-α-(4-fluorobenzyl)-DL-Pro-OH ≥96.0% (HPLC)
500mg
$ 270.00

Total 3 raw suppliers

Chemical Property of Boc-alpha-(4-fluorobenzyl)-DL-proline

Chemical Property:

Vapor Pressure:8.69E-09mmHg at 25°C
Refractive Index:1.543
Boiling Point:447.4°C at 760 mmHg
Flash Point:224.4°C
PSA：66.84000
Density:1.242g/cm³
LogP:3.16040
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:323.15328635
Heavy Atom Count:23
Complexity:454

Purity/Quality:

98+% ^*data from raw suppliers

BOC-ALPHA-(4-FLUOROBENZYL)-DL-PRO-OH 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCCC1(CC2=CC=C(C=C2)F)C(=O)O

Technology Process of Boc-alpha-(4-fluorobenzyl)-DL-proline

There total 2 articles about Boc-alpha-(4-fluorobenzyl)-DL-proline 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: 92.0%

: 1-(tert-butyl) 2-methyl 2-(4-fluorobenzyl)pyrrolidine-1,2-dicarboxylate

: 351002-78-3,706806-64-6
1-(tert-butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; methanol; at 60 ℃; for 3h;
DOI:10.1021/acs.joc.1c01133

Reference yield:

: 145681-01-2
(+/-)-N-tert-butoxycarbonylproline methyl ester

: 351002-78-3,706806-64-6
1-(tert-butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: lithium hexamethyldisilazane / toluene; tetrahydrofuran / 0.33 h / -78 - 0 °C

1.2: 4-fluorobenzyl halide / 12 h / 20 °C

2.1: sodium hydroxide / tetrahydrofuran; methanol / 3 h / 60 °C

With sodium hydroxide; lithium hexamethyldisilazane; In tetrahydrofuran; methanol; toluene;
DOI:10.1021/acs.joc.1c01133

Reference yield: 81.0%

: 351002-78-3,706806-64-6
1-(tert-butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid

: tert-butyl (E)-2-(4-fluorobenzylidene)pyrrolidine-1-carboxylate

Guidance literature:: With diphenyl phosphoryl azide; triethylamine; In toluene; at 100 ℃; for 0.333333h; under 5171.62 Torr;
DOI:10.1021/acs.joc.1c01133