1H-Pyrazole-4-carbonitrile, 3-amino-5-[(3-methoxyphenyl)amino]-

Base Information

Chemical Name:1H-Pyrazole-4-carbonitrile, 3-amino-5-[(3-methoxyphenyl)amino]-
CAS No.:170464-97-8
Molecular Formula:C₁₁H₁₁N₅O
Molecular Weight:229.241
Hs Code.:
DSSTox Substance ID:DTXSID50444056
ChEMBL ID:CHEMBL4788439
Mol file:170464-97-8.mol

Synonyms:170464-97-8;1H-Pyrazole-4-carbonitrile, 3-amino-5-[(3-methoxyphenyl)amino]-;5-amino-4-cyano-3-(3-methoxy-phenylamino)-pyrazole;SCHEMBL8123985;CHEMBL4788439;DTXSID50444056;WUGJNXXMPQUYAQ-UHFFFAOYSA-N

Suppliers and Price of 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(3-methoxyphenyl)amino]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(3-methoxyphenyl)amino]-

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:229.09635999
Heavy Atom Count:17
Complexity:302

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC(=C1)NC2=NNC(=C2C#N)N

Technology Process of 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(3-methoxyphenyl)amino]-

There total 5 articles about 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(3-methoxyphenyl)amino]- 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: 100.0%

: 155557-30-5
2-cyano-3-(3-methoxyphenylamino)-3-methylsulfanylacrylonitrile

: 170464-97-8,488721-71-7
5-amino-3-(3-methoxyphenylamino)pyrazole-1H-4-carbonitrile

Guidance literature:: With hydrazine hydrate; In N,N-dimethyl-formamide; at 100 ℃; for 6h;
DOI:10.1248/cpb.55.881

Reference yield:

: 536-90-3,918666-97-4
m-Anisidine

: 170464-97-8,488721-71-7
5-amino-3-(3-methoxyphenylamino)pyrazole-1H-4-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: Heating

2: N₂H₄*H₂O / methanol / Heating

With hydrazine hydrate; In methanol;
DOI:10.1021/jm970124v

Reference yield:

: 536-90-3,918666-97-4
m-Anisidine

: 170464-97-8,488721-71-7
5-amino-3-(3-methoxyphenylamino)pyrazole-1H-4-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / methanol / 15 h / Heating

2: 100 percent / hydrazine monohydrate / dimethylformamide / 6 h / 100 °C

With hydrazine hydrate; In methanol; N,N-dimethyl-formamide;
DOI:10.1248/cpb.55.881