5-amino-3-methoxy-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 5-amino-3-methoxy-1H-pyrazole-4-carbonitrile
• CAS No.: 72760-87-3
• Molecular Formula: C₅H₆N₄O
• Molecular Weight: 138.129
• European Community (EC) Number: 843-784-7
• Mol file: 72760-87-3.mol

Synonyms:5-amino-3-methoxy-1H-pyrazole-4-carbonitrile;72760-87-3;3-Amino-5-methoxy-1H-pyrazole-4-carbonitrile;C5H6N4O;SCHEMBL174989;SCHEMBL11344256;AMY2083;LBMAZPZMEWQBPR-UHFFFAOYSA-N;XCA76087;MFCD09702270;MFCD19159542;AKOS000139896;AKOS006221410;PB32746;AS-51375;SY174485;CS-0051544;EN300-36977;P12519;3-AMINO-5-METHOXY-2H-PYRAZOLE-4-CARBONITRILE;5-Amino-3-methoxy-1H-pyrazole-4-carbonitrile, AldrichCPR

Chemical Property of 5-amino-3-methoxy-1H-pyrazole-4-carbonitrile

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 138.05416083
• Heavy Atom Count: 10
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-5-methoxy-1H-pyrazole-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

Useful:

• Canonical SMILES: COC1=NNC(=C1C#N)N

Technology Process of 5-amino-3-methoxy-1H-pyrazole-4-carbonitrile

There total 2 articles about 5-amino-3-methoxy-1H-pyrazole-4-carbonitrile 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: 82.0%

2-(dimethoxymethylidene)propanedinitrile (64672-72-6) → 5-amino-3-methoxy-1H-pyrazole-4-carbonitrile (72760-87-3)

Guidance literature:

With hydrazine hydrate; In water;

DOI:10.1002/jhet.5570230651

Reference yield: 65.0%

3-chloro-5-methoxyisothiazole-4-carbonitrile (3889-56-3) → 3-amino-5-methoxy-1H-pyrazole-4-carbonitrile (72760-87-3) + 3-chloro-5-hydrazinylisothiazole-4-carbonitrile (3866-31-7)

Guidance literature:

With hydrazine; at 20 ℃; for 0.05h;

DOI:10.1016/j.tet.2009.06.041

Reference yield: 64.0%

methyl 3-(4-chlorophenyl)-3-oxopropanoate (22027-53-8) + 5-amino-3-methoxy-1H-pyrazole-4-carbonitrile (72760-87-3) → 5-(4-chlorophenyl)-2-methoxy-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Guidance literature:

With toluene-4-sulfonic acid; In butan-1-ol; at 130 ℃; for 2h;

upstream raw materials:

2-(dimethoxymethylidene)propanedinitrile

3-chloro-5-methoxyisothiazole-4-carbonitrile

Downstream raw materials:

3-methoxy-4,6-bis(methylthio)-pyrazolo<3,4-d>pyrimidine

3-methoxy-1H-pyrazolo<3,4-d>pyrimidin-4(5H)-one

3-Methoxy-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)pyrazolo<3,4-d>pyrimidin-4(5H)-one

5-(4-chlorophenyl)-2-methoxy-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

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