(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)(3-chlorophenyl)methanone

Base Information

Chemical Name:(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)(3-chlorophenyl)methanone
CAS No.:54454-13-6
Molecular Formula:C12H12ClN3O
Molecular Weight:249.7
Hs Code.:
ChEMBL ID:CHEMBL436345
DSSTox Substance ID:DTXSID401176189

Synonyms:(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)(3-chlorophenyl)methanone;54454-13-6;CHEMBL436345;DTXSID401176189

Suppliers and Price of (5-amino-1,3-dimethyl-1H-pyrazol-4-yl)(3-chlorophenyl)methanone

Supply Marketing:

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

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Chemical Property of (5-amino-1,3-dimethyl-1H-pyrazol-4-yl)(3-chlorophenyl)methanone

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:249.0668897
Heavy Atom Count:17
Complexity:300

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=NN(C(=C1C(=O)C2=CC(=CC=C2)Cl)N)C

Technology Process of (5-amino-1,3-dimethyl-1H-pyrazol-4-yl)(3-chlorophenyl)methanone

There total 2 articles about (5-amino-1,3-dimethyl-1H-pyrazol-4-yl)(3-chlorophenyl)methanone 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:

: 29938-75-8
(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)(3-chlorophenyl)methanone

: 54454-13-6
(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)-(3-chloro-phenyl)-methanone

Guidance literature:: With ammonium hydroxide; at 155 - 160 ℃; for 18h;
DOI:10.1021/jm00377a003

Reference yield:

: 54454-13-6
(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)-(3-chloro-phenyl)-methanone

Guidance literature:: entspr. 5-Chlorverb., NH3;

Reference yield:

: 54454-13-6
(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)-(3-chloro-phenyl)-methanone

: 78451-95-3
4-(3-chlorophenyl)-1,3,6,6-tetramethyl-6,8-dihydropyrazolo<3,4-e><1,4>diazepin-7(1H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: 1,2-dichloro-ethane / Heating

2: NaN₃ / dimethylformamide / 40 °C

3: H₂ / 5percent Pd/C / acetic acid

With sodium azide; hydrogen; palladium on activated charcoal; In acetic acid; 1,2-dichloro-ethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00140a013