4,4-Dimethyl-3,5-diphenyl-4H-pyrazole

Base Information

• Chemical Name: 4,4-Dimethyl-3,5-diphenyl-4H-pyrazole
• CAS No.: 30169-45-0
• Molecular Formula: C17H16 N2
• Molecular Weight: 248.327
• NSC Number: 174701
• DSSTox Substance ID: DTXSID80306234
• Nikkaji Number: J284.673J
• Wikidata: Q82053225
• Mol file: 30169-45-0.mol

Synonyms:NSC174701;4,4-Dimethyl-3,5-diphenyl-4H-pyrazole;30169-45-0;DTXSID80306234;AKOS024329468;NSC-174701

Chemical Property of 4,4-Dimethyl-3,5-diphenyl-4H-pyrazole

Chemical Property:

• Vapor Pressure: 3.68E-05mmHg at 25°C
• Boiling Point: 363.8°C at 760 mmHg
• Flash Point: 166.1°C
• Density: 1.06g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 248.131348519
• Heavy Atom Count: 19
• Complexity: 344

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=NN=C1C2=CC=CC=C2)C3=CC=CC=C3)C

Technology Process of 4,4-Dimethyl-3,5-diphenyl-4H-pyrazole

There total 4 articles about 4,4-Dimethyl-3,5-diphenyl-4H-pyrazole 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: 97.0%

2,2-dimethyl-1,3-diphenylpropane-1,3-dione (41169-42-0) → 4,4-dimethyl-3,5-diphenyl-4H-pyrazole (30169-45-0)

Guidance literature:

In benzene; for 8h; Heating;

Reference yield: 82.0%

2,2-dimethyl-1,3-diphenylpropane-1,3-dione (41169-42-0) → 4,4-dimethyl-3,5-diphenyl-4H-pyrazole (30169-45-0)

Guidance literature:

With hydrazine hydrate; In chloroform; for 6h; Heating;

DOI:10.1021/jo00093a010

Reference yield:

(1α,4α,4aα,7aα)-4,4a,7,7a-Tetrahydro-8,8-dimethyl-1,4-diphenyl-1,4-methano-1H-cyclopenta[d]pyridazin (105787-00-6) → 4,4-dimethyl-3,5-diphenyl-4H-pyrazole (30169-45-0)

Guidance literature:

With trifluoroacetic acid; In chloroform-d1; at 20 ℃; Yield given;

DOI:10.1021/jo00093a010

upstream raw materials:

2,2-dimethyl-1,3-diphenylpropane-1,3-dione

(1α,4α,4aα,7aα)-4,4a,7,7a-Tetrahydro-8,8-dimethyl-1,4-diphenyl-1,4-methano-1H-cyclopenta[d]pyridazin

Downstream raw materials:

(1α,4α,4aα,7aα)-4,4a,7,7a-Tetrahydro-8,8-dimethyl-1,4-diphenyl-1,4-methano-1H-cyclopenta[d]pyridazin

4,4-Dimethyl-3,5,5-triphenyl-4,5-dihydro-1H-pyrazole

(1α,4α,4aα,5β,8β,8aα)-1,4,4a,5,6,7,8,8a-Octahydro-1,4-diphenyl-9,9-dimethyl-1,4:5,8-dimethanophthalazin

(1α,4α,4aα,5β,8β,8aα)-1,4,4a,5,8,8a-Hexahydro-9,9-dimethyl-1,4-diphenyl-1,4;5,8-dimethanophthalazin