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

Base Information

• Chemical Name: methyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
• CAS No.: 64182-19-0
• Molecular Formula: C6H9N3O2
• Molecular Weight: 155.15500
• European Community (EC) Number: 848-141-4
• Mol file: 64182-19-0.mol

Synonyms:methyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate;64182-19-0;1H-Pyrazole-4-carboxylic acid, 3-amino-1-methyl-, methyl ester;METHYL 3-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE;SCHEMBL11564068;MFCD16619854;STL436159;AKOS022186664;BS-17829;CS-0161158;EN300-687013;methyl3-amino-1-methyl-1H-pyrazole-4-carboxylate;Z1255433590;3-amino-1-methyl-1H-Pyrazole-4-carboxylic acid methyl ester

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

Chemical Property:

• Boiling Point: 288.6±20.0 °C(Predicted)
• PKA: 1?+-.0.10(Predicted)
• PSA: 70.14000
• Density: 1.35±0.1 g/cm3(Predicted)
• LogP: 0.37010
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 155.069476538
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-amino-1-methyl-1H-pyrazole-4-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C=C(C(=N1)N)C(=O)OC

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

There total 1 articles about methyl 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:

methylhydrazine (60-34-4) + methyl 2-cyano-3-aminoacrylate (1187-21-9) → methyl 5-amino-1-methylpyrazole-4-carboxylate (110860-60-1) + methyl 3-amino-1-methylpyrazole-4-carboxylate (64182-19-0)

Guidance literature:

In methanol; at 65 ℃; for 1h; Time; Temperature;

Reference yield:

methyl 3-amino-1-methylpyrazole-4-carboxylate (64182-19-0) → Methyl 5-Chloro-1-methylpyrazole-4-carboxylate (88398-85-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 35percent aq. HCl, sodium nitrite, 2.) cuprous chloride, 35percent aq. HCl / 1.) 0 deg C, 1 h, 2.) CHCl₃, RT, 1 h

2: N-chlorosuccinimide / 120 °C

With hydrogenchloride; N-chloro-succinimide; copper(l) chloride; sodium nitrite;

DOI:10.1002/jhet.5570340231

upstream raw materials:

methylhydrazine

methyl 2-cyano-3-aminoacrylate

Downstream raw materials:

Methyl 5-Chloro-1-methylpyrazole-4-carboxylate