4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzaldehyde

Base Information

• Chemical Name: 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzaldehyde
• CAS No.: 34114-09-5
• Molecular Formula: C22H18 N2 O
• Molecular Weight: 326.398
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID90383132
• Nikkaji Number: J2.931.380F
• ChEMBL ID: CHEMBL1581605
• Mol file: 34114-09-5.mol

Synonyms:4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzaldehyde;34114-09-5;4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde;MLS001194979;SCHEMBL5392688;CHEMBL1581605;DTXSID90383132;SQIBVJCFMCUNGG-UHFFFAOYSA-N;HMS2868E06;MFCD00371946;STK064570;AKOS000268127;AKOS016039232;SMR000554564;UPCMLD0ENAT0504-2982:001;CS-0218489;EC-000.1805;EN300-01130;1-(4-Formylphenyl)-3,5-diphenyl-2-pyrazoline;1-(p-formylphenyl)-3,5-diphenyl-2-pyrazoline;p-(3,5-diphenyl-2-pyrazolin-1-yl)benzaldehyde;4-(3,5-Diphenyl-2-pyrazoline-1-yl)benzaldehyde;Z56793155;4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)benzaldehyde;4-(3,5-diphenyl-4,5-dihydro-1H-1-pyrazolyl)benz-aldehyde;4-(3,5-diphenyl-4,5-dihydro-pyrazol-1-yl)-benzaldehyde

Chemical Property of 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzaldehyde

Chemical Property:

• Vapor Pressure: 5.77E-11mmHg at 25°C
• Refractive Index: 1.63
• Boiling Point: 521.3°Cat760mmHg
• Flash Point: 269.1°C
• PSA: 32.67000
• Density: 1.14g/cm³
• LogP: 4.35540
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 326.141913202
• Heavy Atom Count: 25
• Complexity: 468

Purity/Quality:

99% ^*data from raw suppliers

4-(3,5-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C=O)C4=CC=CC=C4

Technology Process of 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzaldehyde

There total 7 articles about 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzaldehyde 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: 64.0%

1,3,5-triphenyl-4,5-dihydro-1H-pyrazole (742-01-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-(3,5-diphenyl-4,5-dihydro-1H-1-pyrazolyl)benzaldehyde (34114-09-5)

Guidance literature:

With trichlorophosphate; at 0 - 100 ℃; for 2h;

DOI:10.1039/C8NJ05017A

Reference yield:

benzalacetophenone (94-41-7) → 4-(3,5-diphenyl-4,5-dihydro-1H-1-pyrazolyl)benzaldehyde (34114-09-5)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; sodium acetate / water / 2 h / 30 °C / Sonication

2: trichlorophosphate / 2 h / 0 - 100 °C

With sodium acetate; acetic acid; trichlorophosphate; In water;

DOI:10.1039/C8NJ05017A

Reference yield:

phenylhydrazine hydrochloride (59-88-1) → 4-(3,5-diphenyl-4,5-dihydro-1H-1-pyrazolyl)benzaldehyde (34114-09-5)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; sodium acetate / water / 2 h / 30 °C / Sonication

2: trichlorophosphate / 2 h / 0 - 100 °C

With sodium acetate; acetic acid; trichlorophosphate; In water;

DOI:10.1039/C8NJ05017A

upstream raw materials:

n-butyl magnesium bromide

methylmagnesium bromide

n-decyl magnesium bromide

benzalacetophenone