1-Methylpyrrole-2-carboxamide

Base Information

• Chemical Name: 1-Methylpyrrole-2-carboxamide
• CAS No.: 64230-41-7
• Molecular Formula: C6H8 N2 O
• Molecular Weight: 124.142
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70368326
• Nikkaji Number: J1.607.241I
• Wikidata: Q82154776
• Mol file: 64230-41-7.mol

Synonyms:1-methylpyrrole-2-carboxamide;64230-41-7;1-methyl-1h-pyrrole-2-carboxamide;1H-Pyrrole-2-carboxamide,1-methyl-(9CI);SCHEMBL308631;DTXSID70368326;MFCD03654144;AKOS006222726;AS-8177;SB62236;CS-0206460;EN300-726556;Z56852683

Chemical Property of 1-Methylpyrrole-2-carboxamide

Chemical Property:

• PSA: 48.02000
• LogP: 0.82430
• Storage Temp.: Room temperature.
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 124

Purity/Quality:

99%min. ^*data from raw suppliers

1-Methylpyrrole-2-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC=C1C(=O)N

Technology Process of 1-Methylpyrrole-2-carboxamide

There total 11 articles about 1-Methylpyrrole-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: 100.0%

1-methyl-2-trichloroacetyl-1H-pyrrole (21898-65-7) → 1-methyl-1H-pyrrole-2-carboxamide (64230-41-7)

Guidance literature:

With ammonium hydroxide; In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1016/j.bmcl.2017.03.052

Reference yield: 97.0%

1-Methyl-2-pyrrolecarboxylic acid (6973-60-0) → 1-methyl-1H-pyrrole-2-carboxamide (64230-41-7)

Guidance literature:

1-Methyl-2-pyrrolecarboxylic acid; With thionyl chloride; In tetrahydrofuran; at 50 ℃; for 1h;

With ammonium hydroxide; In tetrahydrofuran; at 0 ℃; for 0.0833333h;

DOI:10.1021/acs.orglett.8b02422

Reference yield: 93.0%

N-methylpyrrole aldehyde (1192-58-1) → 1-methyl-1H-pyrrole-2-carboxamide (64230-41-7)

Guidance literature:

N-methylpyrrole aldehyde; With ammonia; iodine; In tetrahydrofuran; water; at 20 ℃; for 1h;

With dihydrogen peroxide; In tetrahydrofuran; water; at 20 ℃; for 2h; Further stages.;

DOI:10.1021/jo026407z

upstream raw materials:

Cyano-(1-methyl-1H-pyrrol-2-yl)-acetic acid methyl ester

N-Methylpyrrole

bis(trichloromethyl) carbonate

N-methylpyrrole aldehyde

Downstream raw materials:

methyl 4-<<<4-<<(tert-butyloxy)carbonyl>amino>-1-methyl-pyrrol-2-yl>carbonyl>amino>-1-methyl-pyrrole-2-carboxylate

2-aminomethyl-1-methyl-1H-pyrrole

Refernces

• 1、 Lee, Sang-Woo,Tran, Kim Tai,Vazquez-Uribe, Ruben,Gotfredsen, Charlotte Held,Clausen, Mads Hartvig,Mendez, Blanca Lopez,Montoya, Guillermo,Bach, Anders,Sommer, Morten Otto Alexander. "Identification and Optimization of Novel Small-Molecule Cas9 Inhibitors by Cell-Based High-Throughput Screening". . p. 3266 - 3305. Retrieved 2022/02/23.
• 2、 Shiga, Naoki,Takayanagi, Shihori,Muramoto, Risa,Murakami, Tasuku,Qin, Rui,Suzuki, Yuta,Shinohara, Ken-ichi,Kaneda, Atsushi,Nemoto, Tetsuhiro. "Synthesis of pyrrole-imidazole polyamide oligomers based on a copper-catalyzed cross-coupling strategy". supporting information. p. 2197 - 2200. Retrieved 2017/04/27.