2-Aminopyrrole

Base Information

• Chemical Name: 2-Aminopyrrole
• CAS No.: 4458-15-5
• Molecular Formula: C4H6 N2
• Molecular Weight: 82.105
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20415950
• Nikkaji Number: J1.039.686G
• Wikidata: Q82225041
• ChEMBL ID: CHEMBL4089706
• Mol file: 4458-15-5.mol

Synonyms:1H-pyrrol-2-amine;2-AMINOPYRROLE;4458-15-5;aminoazole;aminopyrrole;42-Aminopyrrole;1h-pyrrole-2-amine;CHEMBL4089706;DTXSID20415950;QLSWIGRIBOSFMV-UHFFFAOYSA-N;MFCD08437460;AKOS006339935;CS-0112997;FT-0764454;A826629;J-508079;InChI=1/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H

Chemical Property of 2-Aminopyrrole

Chemical Property:

• Vapor Pressure: 0.0133mmHg at 25°C
• Boiling Point: 259°C at 760 mmHg
• PKA: 19.82±0.50(Predicted)
• Flash Point: 134.3°C
• PSA: 41.81000
• Density: 1.172g/cm³
• LogP: 1.17810
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 82.053098200
• Heavy Atom Count: 6
• Complexity: 44.8

Purity/Quality:

99%, ^*data from raw suppliers

2-Aminopyrrole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC(=C1)N

Technology Process of 2-Aminopyrrole

There total 3 articles about 2-Aminopyrrole 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%

2-nitro-1H-pyrrole (5919-26-6) → 2-aminopyrrole (4458-15-5)

Guidance literature:

With triethylamine; In water; at 80 ℃; for 4h; chemoselective reaction; Inert atmosphere; Green chemistry;

DOI:10.1039/c4ra01333f

Reference yield:

N-(1H-pyrrol-2-yl)-o-hydroxymethylbenzamide (173853-65-1) → 2-benzofuran-1(3H)-one (87-41-2) + 2-aminopyrrole (4458-15-5)

Guidance literature:

With acetic acid; at 80 ℃; for 40h;

DOI:10.1016/0040-4039(95)02019-L

Reference yield:

N-(1H-pyrrol-2-yl)-o-hydroxymethylbenzamide (173853-65-1) → 2-aminopyrrole (4458-15-5)

Guidance literature:

With acetic acid; at 80 ℃; for 2h;

DOI:10.1039/a809138b

upstream raw materials:

N-(1H-pyrrol-2-yl)-o-hydroxymethylbenzamide

2-nitro-1H-pyrrole

Downstream raw materials:

1-{5-[(1H-Indol-3-ylmethyl)-amino]-[1,3,4]thiadiazol-2-ylsulfanyl}-3-(1H-pyrrol-2-ylamino)-propan-2-ol

5-bromo-1H-pyrrolo[2,3-b]pyridine

Refernces

• 1、 De Rosa, Michael,Sellitto, Ian,Issac, Roy P.,Ralph, John,Timken, Mark D.. "Preparation and characterization of tetraphenylborate salts of 2- aminopyrrole and 1-alkyl-2-aminopyrroles". . p. 262 - 263. Retrieved 2007/10/03.