1-formamido-1H-pyrrole-2-carboxamide

Base Information

• Chemical Name: 1-formamido-1H-pyrrole-2-carboxamide
• CAS No.: 159326-70-2
• Molecular Formula: C₆H₇N₃O₂
• Molecular Weight: 153.14
• DSSTox Substance ID: DTXSID901273572
• Mol file: 159326-70-2.mol

Synonyms:1-formamido-1H-pyrrole-2-carboxamide;159326-70-2;1-formamidopyrrole-2-carboxamide;1H-Pyrrole-2-carboxamide,1-(formylamino)-(9CI);1-(formylamino)-1H-pyrrole-2-carboxamide;1H-Pyrrole-2-carboxamide, 1-(formylamino)-;SCHEMBL1396053;CWZMXGIYBUJQPC-UHFFFAOYSA-N;DTXSID901273572;AMY19061;FT-0716910;1H-PYRROLE-2-CARBOXAMIDE,1-(FORMYLAMINO)-

Chemical Property of 1-formamido-1H-pyrrole-2-carboxamide

Chemical Property:

• PSA: 77.12000
• LogP: 0.69610
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 153.053826475
• Heavy Atom Count: 11
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

1-Formamido-1H-pyrrole-2-carboxamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C(=C1)C(=O)N)NC=O

Technology Process of 1-formamido-1H-pyrrole-2-carboxamide

There total 3 articles about 1-formamido-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: 81.0%

formic acid (64-18-6) + 1-aminopyrrole-2-carboxamide (159326-69-9) → 1-formylaminopyrrole-2-carboxamide (159326-70-2)

Guidance literature:

With sodium acetate;

DOI:10.1002/jhet.5570310415

Reference yield:

2-pyrrole aldehyde (1003-29-8,254729-95-8) → 1-formylaminopyrrole-2-carboxamide (159326-70-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) aq. hydroxylamine-O-sulfonic acid, 2.) aq. KOH / 1.) 1 h, 2.) 0-5 deg C, 3.5 h

2: 60 percent / aq. KOH / 6.5 h / Ambient temperature

3: 81 percent / sodium acetate

With potassium hydroxide; sodium acetate; hydroxylamine-O-sulfonic acid;

DOI:10.1002/jhet.5570310415

Reference yield:

N-amino-1H-pyrrole-2-carbonitrile (159326-66-6) → 1-formylaminopyrrole-2-carboxamide (159326-70-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / aq. KOH / 6.5 h / Ambient temperature

2: 81 percent / sodium acetate

With potassium hydroxide; sodium acetate;

DOI:10.1002/jhet.5570310415

upstream raw materials:

formic acid

1-aminopyrrole-2-carboxamide

2-pyrrole aldehyde

N-amino-1H-pyrrole-2-carbonitrile

Downstream raw materials:

4-bromo-pyrrolo[2,1-f][1,2,4]triazine

1-<amino>pyrrole-2-carboxamide

1-aminopyrrole-2-carboxamide

pyrrolo<2,1-f><1,2,4>triazin-4(3H)-one