ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate

Base Information

• Chemical Name: ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
• CAS No.: 21230-43-3
• Molecular Formula: C7H11N3O2
• Molecular Weight: 169.183
• Hs Code.: 2933199090
• European Community (EC) Number: 832-622-0
• NSC Number: 75242
• DSSTox Substance ID: DTXSID50291401
• Nikkaji Number: J3.422.591E
• Wikidata: Q82029357
• Mol file: 21230-43-3.mol

Synonyms:ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate;21230-43-3;ethyl 3-amino-1-methylpyrazole-4-carboxylate;3-AMINO-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;1H-PYRAZOLE-4-CARBOXYLIC ACID, 3-AMINO-1-METHYL-, ETHYL ESTER;MFCD00101268;NSC75242;SCHEMBL645045;AMY5112;DTXSID50291401;PVPKAOUYPAEICK-UHFFFAOYSA-N;PYRAZOLE-4-CARBOXYLIC ACID,3-AMINO-1-METHYL-,ETHYL ESTER;CCG-40341;NSC-75242;AKOS006274131;DS-4546;MB00669;SY096882;CS-0043790;FT-0693316;Ethyl 1-Methyl-3-aMinopyrazole-4-carboxylate;EN300-116989;AJ-077/25078002;W-206609;3-Amino-1-methyl-4-pyrazolecarboxylic acid ethyl ester;Z1198150597;1H-Pyrazole-4-carboxylicacid,3-amino-1-methyl-,ethyl ester

Chemical Property of ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 300.504 °C at 760 mmHg
• Flash Point: 135.54 °C
• Density: 1.291 g/cm³
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.085126602
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl3-Amino-1-methyl-1H-pyrazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN(N=C1N)C

Technology Process of ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate

There total 2 articles about ethyl 3-amino-1-methyl-1H-pyrazole-4-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:

ethyl (ethoxymethylene)cyanoacetate (42466-67-1,42466-69-3) + 4-methoxy-benzaldehyde methylhydrazone (38327-03-6) → 3-amino-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester (21230-43-3)

Guidance literature:

ethyl (ethoxymethylene)cyanoacetate; 4-methoxy-benzaldehyde methylhydrazone; In benzene; for 1h; Heating / reflux;

With hydrogenchloride; ethanol; water; at 80 ℃;

Reference yield:

ethyl (ethoxymethylene)cyanoacetate (42466-67-1,42466-69-3) → 3-amino-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester (21230-43-3)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: water; ethanol; HCl

With hydrogenchloride; ethanol; water; benzene;

DOI:10.1002/hlca.19590420132

Reference yield: 98.0%

3-amino-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester (21230-43-3) + 4-Bromophenyl isothiocyanate (1985-12-2) → 1-methyl-N-(4-carboethoxypyrazol-3-yl)-N'-(4-bromophenyl)thiourea (171084-26-7)

Guidance literature:

In toluene; Heating;

upstream raw materials:

ethyl (ethoxymethylene)cyanoacetate

4-methoxy-benzaldehyde methylhydrazone

Downstream raw materials:

2-Methyl-allopurinol

ethyl 1-methyl-3-(2-nitro-4-trifluoromethylanilino)pyrazole-4-carboxylate

Ethyl 3-(5-fluoro-2-nitroanilino)-1-methylpyrazole-4-carboxylate

ethyl 3-<(4-fluoro-2-nitrophenyl)amino>-1-methylpyrazole-4-carboxylate

Refernces