Methyl 2-methyl-1H-pyrrole-3-carboxylate

Base Information

• Chemical Name: Methyl 2-methyl-1H-pyrrole-3-carboxylate
• CAS No.: 3168-85-2
• Molecular Formula: C7H9NO2
• Molecular Weight: 139.154
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30490935
• Nikkaji Number: J2.196.096I
• Wikidata: Q82335007
• Mol file: 3168-85-2.mol

Synonyms:Methyl 2-methyl-1H-pyrrole-3-carboxylate;3168-85-2;2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID METHYL ESTER;Methyl2-methyl-1H-pyrrole-3-carboxylate;SCHEMBL4117555;DTXSID30490935;OBRHFSNTJHVMMB-UHFFFAOYSA-N;MFCD09033483;AKOS006332464;SB62123;AS-75784;CS-0153501;D94975;EN300-170999;A911961;Z1198183693

Chemical Property of Methyl 2-methyl-1H-pyrrole-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.00443mmHg at 25°C
• Melting Point: 63-64 °C
• Boiling Point: 277.8oC at 760 mmHg
• PKA: 16.14±0.50(Predicted)
• Flash Point: 121.8oC
• PSA: 42.09000
• Density: 1.141g/cm3
• LogP: 1.10970
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 139.063328530
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

methyl2-methyl-1H-pyrrole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CN1)C(=O)OC

Technology Process of Methyl 2-methyl-1H-pyrrole-3-carboxylate

There total 13 articles about Methyl 2-methyl-1H-pyrrole-3-carboxylate 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: 85.0%

2-acetyl-4-azido-3-methoxybutyric acid methyl ester → methyl 2-methyl-1H-pyrrole-3-carboxylate (3168-85-2)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; at 80 ℃; for 4h;

DOI:10.1021/jo047856x

Reference yield: 40.0%

(Z)-3-(2,2-Diethoxy-ethylamino)-but-2-enoic acid methyl ester (879214-69-4) → methyl 1-(2,2-diethoxyethyl)-2-methyl-1H-pyrrole-3-carboxylate + methyl 2-methyl-1H-pyrrole-3-carboxylate (3168-85-2)

Guidance literature:

In dimethyl sulfoxide; at 150 ℃; for 24h;

DOI:10.1016/j.tetlet.2006.01.121

Reference yield: 40.0%

methyl 3-[(2,2-diethoxyethyl)amino]but-2-enoate (1135793-18-8) → methyl 1-(2,2-diethoxyethyl)-2-methyl-1H-pyrrole-3-carboxylate + methyl 2-methyl-1H-pyrrole-3-carboxylate (3168-85-2)

Guidance literature:

In dimethyl sulfoxide; at 150 ℃; for 24h; Inert atmosphere;

DOI:10.1055/s-0028-1083285

upstream raw materials:

diazomethane

2-methyl-1H-pyrrole-3-carboxylic acid

N-benzyl-3-carbomethoxy-2-methylpyrrole

diazirine