Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate

Base Information

Chemical Name:Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate
CAS No.:65038-94-0
Molecular Formula:C17H19NO4
Molecular Weight:301.342
Hs Code.:
European Community (EC) Number:661-345-6
DSSTox Substance ID:DTXSID601149712
Nikkaji Number:J1.942.670J

Synonyms:DTXSID601149712;BENZYL 5-ACETOXYMETHYL-3,4-DIMETHYL-2-PYRROLECARBOXYLATE;AKOS024325215;65038-94-0;3,4-Dimethyl-5-(acetoxymethyl)-1H-pyrrole-2-carboxylic acid benzyl ester;Phenylmethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate

Suppliers and Price of Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate

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

Sigma-Aldrich
BENZYL 5-ACETOXYMETHYL-3,4-DIMETHYL-2-PYRROLECARBOXYLATE AldrichCPR
1ea
$ 144.00

Total 1 raw suppliers

Chemical Property of Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate

Chemical Property:

Boiling Point:454.9±45.0 °C(Predicted)
PSA：68.39000
Density:1?+-.0.06 g/cm3(Predicted)
LogP:3.05160
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:301.13140809
Heavy Atom Count:22
Complexity:392

Purity/Quality:

99% ^*data from raw suppliers

BENZYL 5-ACETOXYMETHYL-3,4-DIMETHYL-2-PYRROLECARBOXYLATE AldrichCPR ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)COC(=O)C

Technology Process of Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate

There total 5 articles about Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate 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: 96.0%

: 4424-76-4
2-((benzyloxy)carbonyl)-3,4,5-trimethylpyrrole

: 546-67-8
lead(IV) tetraacetate

: 65038-94-0
5-((acetoxy)methyl)-2-((benzyloxy)carbonyl)-3,4-dimethylpyrrole

Guidance literature:: With acetic acid; for 16h; Ambient temperature;
DOI:10.1021/ja00359a012

Reference yield: 51.0%

: 4424-76-4
2-((benzyloxy)carbonyl)-3,4,5-trimethylpyrrole

: 108-24-7
acetic anhydride

: 65038-94-0
5-((acetoxy)methyl)-2-((benzyloxy)carbonyl)-3,4-dimethylpyrrole

Guidance literature:: With lead(IV) acetate; In acetic acid; Ambient temperature;

Reference yield:

: 2199-46-4
2-(ethoxycarbonyl)-3,4,5-trimethylpyrrole

: 65038-94-0
5-((acetoxy)methyl)-2-((benzyloxy)carbonyl)-3,4-dimethylpyrrole

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / sodium / 200 °C

2: 96 percent / glacial acetic acid / 16 h / Ambient temperature

With sodium; acetic acid;
DOI:10.1021/ja00359a012