methyl 1-amino-1H-pyrrole-2-carboxylate

Base Information

• Chemical Name: methyl 1-amino-1H-pyrrole-2-carboxylate
• CAS No.: 122181-85-5
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.142
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00555944
• Wikidata: Q82437401
• Mol file: 122181-85-5.mol

Synonyms:methyl 1-amino-1H-pyrrole-2-carboxylate;122181-85-5;METHYL 1-AMINOPYRROLE-2-CARBOXYLATE;1H-Pyrrole-2-carboxylic acid, 1-amino-, methyl ester;MFCD11226170;1H-Pyrrole-2-carboxylicacid,1-amino-,methylester(9CI);1-Amino-1H-pyrrole-2-carboxylic acid methyl ester;SCHEMBL1962839;DTXSID00555944;WLZ3304;OGSXCPFDMJGEDQ-UHFFFAOYSA-N;AKOS006307218;SB62060;methyl1-amino-1H-pyrrole-2-carboxylate;DS-12179;SY117274;CS-0099972;O11841;A804853;methyl 1-aminopyrrole-2-carboxylate;Methyl 1-amino-1H-pyrrole-2-carboxylate

Chemical Property of methyl 1-amino-1H-pyrrole-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.00613mmHg at 25°C
• Melting Point: 43-44 °C
• Refractive Index: 1.554
• Boiling Point: 272.3 °C at 760 mmHg
• PKA: -3.63±0.70(Predicted)
• Flash Point: 118.5 °C
• PSA: 57.25000
• Density: 1.26 g/cm³
• LogP: 0.56970
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Methyl1-Amino-1H-pyrrole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CN1N

Technology Process of methyl 1-amino-1H-pyrrole-2-carboxylate

There total 3 articles about methyl 1-amino-1H-pyrrole-2-carboxylate 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: 84.0%

methyl Pyrrole-2-carboxylate (1193-62-0) → methyl 1-amino-1H-pyrrole-2-carboxylate (122181-85-5)

Guidance literature:

methyl Pyrrole-2-carboxylate; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; Inert atmosphere;

With O-(2,4-dinitrophenyl)hydroxylamine; In N,N-dimethyl-formamide; mineral oil; at 0 ℃;

Reference yield: 82.0%

1-phthalimido-2-carbomethoxy-1H-pyrrole (122181-83-3) → methyl 1-amino-1H-pyrrole-2-carboxylate (122181-85-5)

Guidance literature:

With hydrazine hydrate; In ethanol; for 2h; Ambient temperature;

DOI:10.1021/jo970288j

Reference yield:

→ methyl 1-amino-1H-pyrrole-2-carboxylate (122181-85-5)

Guidance literature:

upstream raw materials:

1-phthalimido-2-carbomethoxy-1H-pyrrole

methyl Pyrrole-2-carboxylate

Downstream raw materials:

methyl 1-(2,3-bis(methoxycarbonyl)guanidino)-1H-pyrrole-2-carboxylate

methyl (4-chloropyrrolo[2,1-f][1,2,4]triazin-2-yl)carbamate

methyl (4-(1-(1-ethoxyethyl)-1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl)carbamate

methyl (4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)carbamate

Refernces

• 1、 -. "PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES". Paragraph 0160. . Retrieved 2019/05/06.
• 2、 -. "Azabicyclo derivatives, preparation methods thereof, and pharmaceutical applications thereof". Paragraph 0171; 0173. . Retrieved 2016/10/09.