(5-Amino-1-phenyl-1H-pyrazol-4-YL)(4-chlorophenyl)methanone

Base Information

Chemical Name:(5-Amino-1-phenyl-1H-pyrazol-4-YL)(4-chlorophenyl)methanone
CAS No.:54606-38-1
Molecular Formula:C₁₆H₁₂ClN₃O
Molecular Weight:297.744
Hs Code.:2933199090
European Community (EC) Number:651-046-9
DSSTox Substance ID:DTXSID20407390
Nikkaji Number:J843.929J
Wikidata:Q82212642
Mol file:54606-38-1.mol

Synonyms:(5-AMINO-1-PHENYL-1H-PYRAZOL-4-YL)(4-CHLOROPHENYL)METHANONE;54606-38-1;(5-amino-1-phenylpyrazol-4-yl)-(4-chlorophenyl)methanone;DTXSID20407390;MFCD03934822;AKOS024408722

Suppliers and Price of (5-Amino-1-phenyl-1H-pyrazol-4-YL)(4-chlorophenyl)methanone

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
(5-AMINO-1-PHENYL-1H-PYRAZOL-4-YL)(4-CHLOROPHENYL)METHANONE 95.00%
10G
$ 7882.88

American Custom Chemicals Corporation
(5-AMINO-1-PHENYL-1H-PYRAZOL-4-YL)(4-CHLOROPHENYL)METHANONE 95.00%
5G
$ 4244.63

American Custom Chemicals Corporation
(5-AMINO-1-PHENYL-1H-PYRAZOL-4-YL)(4-CHLOROPHENYL)METHANONE 95.00%
1G
$ 1030.84

Total 4 raw suppliers

Chemical Property of (5-Amino-1-phenyl-1H-pyrazol-4-YL)(4-chlorophenyl)methanone

Chemical Property:

PSA：60.91000
LogP:3.92010
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:297.0668897
Heavy Atom Count:21
Complexity:365

Purity/Quality:

99% ^*data from raw suppliers

(5-AMINO-1-PHENYL-1H-PYRAZOL-4-YL)(4-CHLOROPHENYL)METHANONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)C3=CC=C(C=C3)Cl)N

Technology Process of (5-Amino-1-phenyl-1H-pyrazol-4-YL)(4-chlorophenyl)methanone

There total 6 articles about (5-Amino-1-phenyl-1H-pyrazol-4-YL)(4-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: 90.0%

: 100-63-0
phenylhydrazine

: 3-(4-chlorophenyl)-2-N,N-dimethylaminomethylene-3-oxopropanenitrile

: 54606-38-1
5-amino-4-(4-chlorobenzoyl)-1-phenylpyrazole

Guidance literature:: In ethanol; for 1h; Heating;
DOI:10.1080/00397910008087248

Reference yield:

: 122-01-0
4-chloro-benzoyl chloride

: 54606-38-1
5-amino-4-(4-chlorobenzoyl)-1-phenylpyrazole

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) NaH / 1.) toluene, below 20 deg C, 2.) toluene, overnight

2: p-TsOH / toluene / 18 h / Heating

3: toluene / 18 h / Ambient temperature

4: methanol / 18 h / Heating

With sodium hydride; toluene-4-sulfonic acid; In methanol; toluene;
DOI:10.1055/s-1997-1186

Reference yield:

: 3-(4-Chloro-phenyl)-2-cyano-3-oxo-propionic acid tert-butyl ester

: 54606-38-1
5-amino-4-(4-chlorobenzoyl)-1-phenylpyrazole

Guidance literature:: Multi-step reaction with 3 steps

1: p-TsOH / toluene / 18 h / Heating

2: toluene / 18 h / Ambient temperature

3: methanol / 18 h / Heating

With toluene-4-sulfonic acid; In methanol; toluene;
DOI:10.1055/s-1997-1186