Diethyl 5-(bromomethyl)-3-methyl-1h-pyrrole-2,4-dicarboxylate

Base Information

Chemical Name:Diethyl 5-(bromomethyl)-3-methyl-1h-pyrrole-2,4-dicarboxylate
CAS No.:57745-26-3
Molecular Formula:C12H16 Br N O4
Molecular Weight:318.167
Hs Code.:2933990090
DSSTox Substance ID:DTXSID80358718
Wikidata:Q82139510
Mol file:57745-26-3.mol

Synonyms:57745-26-3;diethyl 5-(bromomethyl)-3-methyl-1h-pyrrole-2,4-dicarboxylate;5-Bromomethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester;2,4-diethyl 5-(bromomethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;Enamine_003994;DTXSID80358718;HMS1405F12;MFCD00034723;STL323007;AKOS000117997;SB63587;CS-0219470;FT-0705244;EN300-04119;SR-01000036531;SR-01000036531-1;Z56860286;diethyl5-(bromomethyl)-3-methyl-1h-pyrrole-2,4-dicarboxylate

Suppliers and Price of Diethyl 5-(bromomethyl)-3-methyl-1h-pyrrole-2,4-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

American Custom Chemicals Corporation
5-BROMOMETHYL-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID DIETHYL ESTER 95.00%
5G
$ 1421.65

American Custom Chemicals Corporation
5-BROMOMETHYL-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID DIETHYL ESTER 95.00%
2.5G
$ 1147.43

American Custom Chemicals Corporation
5-BROMOMETHYL-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID DIETHYL ESTER 95.00%
1G
$ 808.89

Total 2 raw suppliers

Chemical Property of Diethyl 5-(bromomethyl)-3-methyl-1h-pyrrole-2,4-dicarboxylate

Chemical Property:

Vapor Pressure:2.69E-08mmHg at 25°C
Boiling Point:450.2°C at 760 mmHg
Flash Point:226.1°C
PSA：68.39000
Density:1.431g/cm³
LogP:2.57140
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:317.02627
Heavy Atom Count:18
Complexity:311

Purity/Quality:

99% ^*data from raw suppliers

5-BROMOMETHYL-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID DIETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CBr

Technology Process of Diethyl 5-(bromomethyl)-3-methyl-1h-pyrrole-2,4-dicarboxylate

There total 8 articles about Diethyl 5-(bromomethyl)-3-methyl-1h-pyrrole-2,4-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: 90.0%

: 2436-79-5
diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate

: 57745-26-3
diethyl 5-(bromomethyl)-3-methylpyrrole-2,4-dicarboxylate

: 5-Dibromomethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester

Guidance literature:: With bromine; In tetrachloromethane; at 30 ℃; Mechanism; Kinetics; Product distribution; effect of light; var. molar ratio Br₂:pyrrole;
DOI:10.1021/jo01298a009

Reference yield: 42.0%

: 2436-79-5
diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate

: 57745-26-3
diethyl 5-(bromomethyl)-3-methylpyrrole-2,4-dicarboxylate

Guidance literature:: With bromine; In acetic acid; at 40 - 43 ℃; for 0.5h;
DOI:10.1002/jhet.5570280707

Reference yield:

: 141-97-9
ethyl acetoacetate

: 57745-26-3
diethyl 5-(bromomethyl)-3-methylpyrrole-2,4-dicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 1) NaNO₂, CH₃COOH, 2) Zn, CH₃COOH / 1) H₂O, < 5 deg C, 1 h, then rt, 1 h, 2) reflux, 2 h

2: 42 percent / bromine / acetic acid / 0.5 h / 40 - 43 °C

With bromine; acetic acid; zinc; sodium nitrite; In acetic acid;
DOI:10.1002/jhet.5570280707