1-Methyl-4-formylamino-2-pyrrolecarboxylic acid

Base Information

Chemical Name:1-Methyl-4-formylamino-2-pyrrolecarboxylic acid
CAS No.:77716-18-8
Molecular Formula:C7H8N2O3
Molecular Weight:168.152
Hs Code.:
DSSTox Substance ID:DTXSID30433701
Nikkaji Number:J2.572.186A
Wikidata:Q82247910

Synonyms:1-methyl-4-formylamino-2-pyrrolecarboxylic acid;77716-18-8;4-formamido-1-methylpyrrole-2-carboxylic acid;SCHEMBL4855585;DTXSID30433701;XAVWPZFTBAQHKX-UHFFFAOYSA-N;1-Methyl-4-(formylamino)-1H-pyrrole-2-carboxylic acid

Suppliers and Price of 1-Methyl-4-formylamino-2-pyrrolecarboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-Methyl-4-formylamino-2-pyrrolecarboxylic acid

Chemical Property:

XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:168.05349212
Heavy Atom Count:12
Complexity:195

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=C(C=C1C(=O)O)NC=O

Technology Process of 1-Methyl-4-formylamino-2-pyrrolecarboxylic acid

There total 1 articles about 1-Methyl-4-formylamino-2-pyrrolecarboxylic acid 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:

: 77716-11-1
4-[(tert-butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid

: 77716-18-8
4-formamido-1-methylimidazole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) aq. Cs₂CO₂ / 1) H₂O, EtOH; 2) DMF, 40 deg C, overnight

2: TFA / CH₂Cl₂ / 1 h

3: 1.) dicyclohexylcarbodiimide, HOBt, 2.) TEA / 1) CH₂Cl₂, 1 h; 2) CH₂Cl₂, 2 h, 0 deg C, 20 deg C (15 h)

4: 95 percent / H₂ / Pd/C / ethanol / 12 h

With TEA; hydrogen; benzotriazol-1-ol; dicyclohexyl-carbodiimide; trifluoroacetic acid; palladium on activated charcoal; In ethanol; dichloromethane;
DOI:10.1002/jps.2600781106

Reference yield: 99.0%

: 77716-18-8
4-formamido-1-methylimidazole-2-carboxylic acid

: 5-[(4-Amino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-2-methyl-2H-pyrazole-3-carboxylic acid benzyl ester

: 158811-80-4
benzyl 3-<4-(4-formamido-1-methylpyrrole-2-carbamido)-1-methylpyrrole-2-carbamido>-1-methylpyrazole-5-carboxylate

Guidance literature:: With dmap; dicyclohexyl-carbodiimide; In dichloromethane; N,N-dimethyl-formamide; for 48h; Ambient temperature;
DOI:10.3891/acta.chem.scand.48-0498

Reference yield: 90.0%

: 77716-18-8
4-formamido-1-methylimidazole-2-carboxylic acid

: 4-[(5-Amino-2-methyl-2H-pyrazole-3-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carboxylic acid benzyl ester

: 158811-81-5
benzyl 4-<3-(4-formamido-1-methylpyrrole-2-carbamido)-1-methylpyrazole-5-carbamido>-1-methylpyrrole-2-carboxylate

Guidance literature:: With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; In N,N-dimethyl-formamide; for 96h;
DOI:10.3891/acta.chem.scand.48-0498