1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-

Base Information

Chemical Name:1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CAS No.:125103-53-9
Molecular Formula:C₂₀H₂₁N₃O
Molecular Weight:319.406
Hs Code.:
DSSTox Substance ID:DTXSID20154650
Wikidata:Q83021937
ChEMBL ID:CHEMBL1095773
Mol file:125103-53-9.mol

Synonyms:BRN 4201049;CHEMBL1095773;1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-;3,5-Dimethyl-1-phenyl-N-(phenylmethyl)-1H-pyrazole-4-acetamide;125103-53-9;SCHEMBL1194306;DTXSID20154650;BDBM50415912;AKOS017149795;LS-127925

Suppliers and Price of 1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-

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

Total 1 raw suppliers

Chemical Property of 1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-

Chemical Property:

Vapor Pressure:1.36E-12mmHg at 25°C
Boiling Point:560.5°Cat760mmHg
Flash Point:292.8°C
Density:1.12g/cm³
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:319.168462302
Heavy Atom Count:24
Complexity:402

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCC3=CC=CC=C3

Technology Process of 1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-

There total 3 articles about 1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)- 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: 30.0%

: 1-phenyl-3,5-dimethylpyrrazole-4-acetyl chloride

: 100-46-9
benzylamine

: 125103-53-9
N-Benzyl-2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-acetamide

Guidance literature:: In 1,2-dichloro-ethane; Ambient temperature;
DOI:10.1007/BF00766389

Reference yield:

: 32710-86-4
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-acetic acid ethyl ester

: 100-46-9
benzylamine

: 125103-53-9
N-Benzyl-2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-acetamide

Guidance literature:: (3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-acetic acid ethyl ester; With water; lithium hydroxide; In tetrahydrofuran; at 50 ℃; for 2h;

benzylamine; With N-ethylmorpholine;; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 16h;
DOI:10.1016/j.bmcl.2010.03.096

Reference yield:

: 32710-88-6
3,5-dimethyl-1-phenylpyrazol-4-ylacetic acid

: 125103-53-9
N-Benzyl-2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 1,2-dichloro-ethane / 1 h / Heating

2: 30 percent / 1,2-dichloro-ethane / Ambient temperature

With thionyl chloride; In 1,2-dichloro-ethane;
DOI:10.1007/BF00766389