5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester

Base Information

Chemical Name:5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester
CAS No.:5422-89-9
Molecular Formula:C12H17NO5
Molecular Weight:255.271
Hs Code.:
NSC Number:10768
DSSTox Substance ID:DTXSID30202575
Nikkaji Number:J2.204.835J
Wikidata:Q83075876
ChEMBL ID:CHEMBL1706165

Synonyms:5422-89-9;MLS000737932;5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester;NSC10768;CHEMBL1706165;BDBM15013;DTXSID30202575;HMS2885B13;NSC 10768;NSC-10768;1H-Pyrrole-2,4-dicarboxylic acid, 5-(hydroxymethyl)-3-methyl-, diethyl ester;NCGC00246716-01;SMR000528091;1H-Pyrrole-2, 5-(hydroxymethyl)-3-methyl-, diethyl ester;2,4-diethyl 5-(hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;1H-Pyrrole-2,4-dicarboxylic acid, 5- (hydroxymethyl)-3-methyl-, diethyl ester

Suppliers and Price of 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl 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 2 raw suppliers

Chemical Property of 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester

Chemical Property:

Vapor Pressure:2.91E-09mmHg at 25°C
Boiling Point:460.1°Cat760mmHg
Flash Point:232.1°C
Density:1.235g/cm³
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:255.11067264
Heavy Atom Count:18
Complexity:307

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester

There total 8 articles about 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl 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: 77.0%

: 79830-01-6
5,10-(3,5-bisethoxycarbonyl-4-methylpyrrol-2-ylmethylenedioxy)-1,3,6,8-tetrakisethoxycarbonyl-2,7-dimethyl-5H,10H-dipyrrolo<1,2-a;1',2'-d>pyrazine

: 5422-89-9
3,5-bisethoxycarbonyl-2-hydroxymethyl-4-methylpyrrole

: 79754-40-8
1,3,6,8-tetrakisethoxycarbonyl-2,7-dimethyl-5H,10H-dipyrrolo<1,2-a;1',2'-d>pyrazine

Guidance literature:: With hydrogen; palladium on activated charcoal; In acetic acid; for 36h; under 735.5 Torr; Ambient temperature;
DOI:10.1039/P19810002656

Reference yield:

: 5408-12-8
ethyl 2-(chloromethyl)-3-(ethoxycarbonyl)-4-methylpyrrole-5-carboxylate

: 5422-89-9
3,5-bisethoxycarbonyl-2-hydroxymethyl-4-methylpyrrole

Guidance literature:: With acetone;
DOI:10.1021/ja01258a007

Reference yield:

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

: 5422-89-9
3,5-bisethoxycarbonyl-2-hydroxymethyl-4-methylpyrrole

Guidance literature:: Multi-step reaction with 3 steps

1: 67 percent / sulphuryl chloride / acetic acid / 0.5 h / 50 °C

2: 1.) tetrabutylammonium bromide, 30percent aq. potassium hydroxide / 1.) chloroform, 20 deg C, 1 h, 2.) irradiation, 3 h

3: 89 percent / H₂ / 10percent palladium-carbon / acetic acid / 36 h / 735.5 Torr / Ambient temperature

With potassium hydroxide; sulfuryl dichloride; tetrabutylammomium bromide; hydrogen; palladium on activated charcoal; In acetic acid;
DOI:10.1039/P19810002656