N,N-dimethyl-1H-pyrrole-2-carboxamide

Base Information

• Chemical Name: N,N-dimethyl-1H-pyrrole-2-carboxamide
• CAS No.: 7126-47-8
• Molecular Formula: C7H10N2O
• Molecular Weight: 138.169
• Hs Code.: 2933990090
• European Community (EC) Number: 692-664-9
• DSSTox Substance ID: DTXSID80454143
• Nikkaji Number: J652.903H
• Wikidata: Q82275490
• Mol file: 7126-47-8.mol

Synonyms:N,N-dimethyl-1H-pyrrole-2-carboxamide;7126-47-8;SCHEMBL827023;DTXSID80454143;VZRWJMZZHDOBIO-UHFFFAOYSA-N;N,N-dimethylpyrrole-2-carbox-amide;MFCD12923836;AKOS006220505;KF-0708;SB63260;EN300-318366;J-523251;Z135504726

Chemical Property of N,N-dimethyl-1H-pyrrole-2-carboxamide

Chemical Property:

• Boiling Point: 305.6±15.0 °C(Predicted)
• PKA: 15.72±0.50(Predicted)
• PSA: 36.10000
• Density: 1.122±0.06 g/cm3(Predicted)
• LogP: 0.71650
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 138.079312947
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

98%min ^*data from raw suppliers

N,N-Dimethyl-1H-pyrrole-2-carboxamide >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)C1=CC=CN1

Technology Process of N,N-dimethyl-1H-pyrrole-2-carboxamide

There total 3 articles about N,N-dimethyl-1H-pyrrole-2-carboxamide 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: 92.0%

pyrrol-2-yl trichloromethyl ketone (35302-72-8) + N,N-dimethylammonium chloride (506-59-2) → pyrrole-2-carboxylic acid N,N-dimethylamide (7126-47-8)

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.8b01251

Reference yield:

N,N-dimethyl-formamide (68-12-2,33513-42-7) + pyrrole-2-carboxyl acid (634-97-9) → pyrrole-2-carboxamide (4551-72-8) + pyrrole-2-carboxylic acid N,N-dimethylamide (7126-47-8)

Guidance literature:

With thionyl chloride; Heating;

DOI:10.1107/S0108270194011285

Reference yield:

→ pyrrole-2-carboxylic acid N,N-dimethylamide (7126-47-8)

Guidance literature:

Pyrrol-2-carbonylchlorid, N,N-Dimethylisobutenylamin;

DOI:10.1021/jo00880a036

upstream raw materials:

N,N-dimethyl-formamide

pyrrole-2-carboxyl acid

pyrrol-2-yl trichloromethyl ketone

N,N-dimethylammonium chloride

Downstream raw materials:

2-pyrrole aldehyde

3,5-dimethyl-8-phenyl-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene

Refernces

• 1、 Linden, Anthony,Wright, Anthony D.,Koenig, Gabriele M.. "N,N-Dimethyl-1H-pyrrole-2-carboxamide". . p. 744 - 747. Retrieved 2007/10/02.