4-Amino-2-ethyl-2H-pyrazole-3-carboxylic acid amide

Base Information

• Chemical Name: 4-Amino-2-ethyl-2H-pyrazole-3-carboxylic acid amide
• CAS No.: 957513-91-6
• Molecular Formula: C₆H₁₀N₄O
• Molecular Weight: 154.172
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID20424522
• ChEMBL ID: CHEMBL4514520
• Mol file: 957513-91-6.mol

Synonyms:957513-91-6;4-Amino-2-ethyl-2H-pyrazole-3-carboxylic acid amide;4-amino-1-ethyl-1H-pyrazole-5-carboxamide;4-amino-2-ethylpyrazole-3-carboxamide;SCHEMBL7992220;CHEMBL4514520;DTXSID20424522;BBL039344;MFCD03422545;STK313348;AKOS000301660;BB 0257708;CS-0240505;EN300-228688

Chemical Property of 4-Amino-2-ethyl-2H-pyrazole-3-carboxylic acid amide

Chemical Property:

• PSA: 86.93000
• LogP: 0.86560
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.08546096
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

98%min ^*data from raw suppliers

4-amino-1-ethyl-1H-pyrazole-5-carboxamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=C(C=N1)N)C(=O)N

Technology Process of 4-Amino-2-ethyl-2H-pyrazole-3-carboxylic acid amide

There total 1 articles about 4-Amino-2-ethyl-2H-pyrazole-3-carboxylic acid amide 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: 72.0%

C6H8N4O3 → 4-amino-1-ethyl-1H-pyrazole-5-carboxamide (957513-91-6)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 25 ℃; for 5h;

Reference yield:

4-amino-1-ethyl-1H-pyrazole-5-carboxamide (957513-91-6) → C7H6Cl2N4 (928767-18-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / tetrahydrofuran / 12 h / 0 - 25 °C

2: N,N-diethylaniline; trichlorophosphate / 4 h / 110 °C

With N,N-diethylaniline; sodium hydroxide; trichlorophosphate; In tetrahydrofuran;

Reference yield:

4-amino-1-ethyl-1H-pyrazole-5-carboxamide (957513-91-6) → 1-ethyl-N-(1-methyl-1H-pyrazol-4-yl)-7-(((1r,4r)-4-morpholinocyclohexyl)oxy)-1H-pyrazolo[4,3-d]pyrimidin-5-amine

Guidance literature:

Multi-step reaction with 4 steps

1: sodium hydroxide / tetrahydrofuran / 12 h / 0 - 25 °C

2: N,N-diethylaniline; trichlorophosphate / 4 h / 110 °C

3: lithium hexamethyldisilazane / tetrahydrofuran / 12 h / 25 °C

4: potassium phosphate; methanesulfonic acid(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II) / tert-butyl alcohol / 12 h / 60 °C

With potassium phosphate; methanesulfonic acid(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II); N,N-diethylaniline; sodium hydroxide; lithium hexamethyldisilazane; trichlorophosphate; In tetrahydrofuran; tert-butyl alcohol;

Downstream raw materials:

C₇H₆Cl₂N₄

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