4-Benzyl-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester

Base Information

Chemical Name:4-Benzyl-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester
CAS No.:886370-56-5
Molecular Formula:C₁₇H₂₃NO₄
Molecular Weight:305.374
Hs Code.:
DSSTox Substance ID:DTXSID901163527
Mol file:886370-56-5.mol

Synonyms:886370-56-5;4-BENZYL-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER;4-BENZYL-1-(TERT-BUTOXYCARBONYL)PYRROLIDINE-3-CARBOXYLIC ACID;4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;4-benzyl-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid;SCHEMBL2934459;DTXSID901163527;AB28289;EN300-761188;1-(1,1-Dimethylethyl) 4-(phenylmethyl)-1,3-pyrrolidinedicarboxylate

Suppliers and Price of 4-Benzyl-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester

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

Total 4 raw suppliers

Chemical Property of 4-Benzyl-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester

Chemical Property:

PSA：66.84000
LogP:2.73470
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:305.16270821
Heavy Atom Count:22
Complexity:409

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)CC2=CC=CC=C2

Technology Process of 4-Benzyl-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester

There total 8 articles about 4-Benzyl-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 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:

: (3R*,4R*)-1,4-dibenzyl-pyrrolidine-3-carboxylic acid

: 24424-99-5
di-tert-butyl dicarbonate

: 886370-56-5,895240-02-5
(±)-trans-4-benzyl-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid

Guidance literature:: With hydrogen; palladium(II) hydroxide/carbon; In ethanol; for 6h;

Reference yield:

: 637014-30-3
(3R,4R)-3-benzyl-4-hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester

: 886370-56-5,895240-02-5
(3R,4R)-4-Benzyl-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester

Guidance literature:: With jones' reagent; In acetone; at -15 ℃; for 0.0833333h;
DOI:10.3987/com-03-9854

Reference yield:

: 190957-22-3
(4R,1'R)-1-(1'-phenylethyl)-4-hydroxymethylpyrrolidin-2-one

: 886370-56-5,895240-02-5
(3R,4R)-4-Benzyl-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester

Guidance literature:: Multi-step reaction with 6 steps

1.1: HMPA; Ph₃CH; n-BuLi / tetrahydrofuran; hexane / 0.33 h / -15 °C

1.2: 91 percent / tetrahydrofuran; hexane / 1 h / Heating

2.1: n-BuLi / tetrahydrofuran; hexane / 0.33 h / -15 °C

2.2: 78 percent / tetrahydrofuran; hexane / 2 h / -15 °C

3.1: 78 percent / LiAlH₄ / tetrahydrofuran / 3 h / Heating

4.1: chloroethyl chlorocarbonate / CH₂Cl₂ / 0.33 h / 0 °C

4.2: methanol / 0.5 h / Heating

5.1: 82 percent / HCOOH / Pd/C / ethanol / 1 h / 20 °C

6.1: Jones' reagent / acetone / 0.08 h / -15 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium aluminium tetrahydride; n-butyllithium; formic acid; jones' reagent; triphenylmethane; 2-Chloroethyl chloroformate; palladium on activated charcoal; In tetrahydrofuran; ethanol; hexane; dichloromethane; acetone;
DOI:10.3987/com-03-9854