1-Amino-1H-pyrrole-2-carboxamide

Base Information

• Chemical Name: 1-Amino-1H-pyrrole-2-carboxamide
• CAS No.: 159326-69-9
• Molecular Formula: C5H7N3O
• Molecular Weight: 125.13
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10439504
• Wikidata: Q72441840
• Mol file: 159326-69-9.mol

Synonyms:1-Amino-1H-pyrrole-2-carboxamide;159326-69-9;1-aminopyrrole-2-carboxamide;1H-Pyrrole-2-carboxamide,1-amino-(9CI);1H-PYRROLE-2-CARBOXAMIDE, 1-AMINO-;1-AMINO-1H-PYRROLE-2-CARBOXYLIC ACID AMIDE;MFCD11053506;1-amino-2-pyrrolecarboxamide;1-azanylpyrrole-2-carboxamide;SCHEMBL1269750;DTXSID10439504;WXHLTDFUEACLBE-UHFFFAOYSA-N;BCP13936;CS-D0845;AKOS006308939;AM84525;PB26616;AS-36007;SY007857;FT-0685679;A810020;W-205842

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.659
• Boiling Point: 425.897 °C at 760 mmHg
• PKA: 16.23±0.50(Predicted)
• Flash Point: 211.375 °C
• PSA: 74.04000
• Density: 1.457 g/cm³
• LogP: 0.58230
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.058911855
• Heavy Atom Count: 9
• Complexity: 125

Purity/Quality:

99.3% ^*data from raw suppliers

1-Amino-1h-pyrrole-2-carboxamide ^*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)N

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

There total 5 articles about 1-Amino-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: 87.0%

N-amino-1H-pyrrole-2-carbonitrile (159326-66-6) → 1-aminopyrrole-2-carboxamide (159326-69-9)

Guidance literature:

With potassium hydroxide; dihydrogen peroxide; In water; at 20 ℃;

Reference yield: 19.0%

1-formylaminopyrrole-2-carboxamide (159326-70-2) → 1-aminopyrrole-2-carboxamide (159326-69-9) + pyrrolo<2,1-f><1,2,4>triazin-4(3H)-one (159326-71-3)

Guidance literature:

With sodium methylate; In methanol; for 19h; Heating;

DOI:10.1002/jhet.5570310415

Reference yield:

2-pyrrole aldehyde (1003-29-8,254729-95-8) → 1-aminopyrrole-2-carboxamide (159326-69-9)

Guidance literature:

Multi-step reaction with 2 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

With potassium hydroxide; hydroxylamine-O-sulfonic acid;

DOI:10.1002/jhet.5570310415

upstream raw materials:

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

1-formylaminopyrrole-2-carboxamide

2-pyrrole aldehyde

1H-pyrrole-2-carbonitrile

Downstream raw materials:

1-formylaminopyrrole-2-carboxamide

pyrrolo[2,1-f][1,2,4]triazine-2,4(1H, 3H)-dione

2-chloro-4-phenylpyrrolo[2,1-f][1,2,4]triazine

N-{2-methyl-5-[(morpholinyl)methyl]phenyl}-4-({4-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl}amino)benzamide

Refernces

• 1、 -. "2 - amino-pyrrolo [1, 2 - f] [1, 2, 4] triazine compounds, synthetic method and application". Paragraph 0066; 0069; 0070. . Retrieved 2017/07/01.
• 2、 -. "Heterocyclic amines Hedgehog signal pathway inhibitor". Paragraph 0131; 0135; 0136. . Retrieved 2017/10/06.