1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-(1-methylethyl)-1-phenyl-

Base Information

• Chemical Name: 1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-(1-methylethyl)-1-phenyl-
• CAS No.: 139347-65-2
• Molecular Formula: C13H13ClN2O
• Molecular Weight: 248.712
• Mol file: 139347-65-2.mol

Synonyms:5-CHLORO-3-ISOPROPYL-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE;5-chloro-4-formyl-3-isopropyl-1-phenylpyrazole;

Chemical Property of 1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-(1-methylethyl)-1-phenyl-

Chemical Property:

• Boiling Point: 366.0±42.0 °C(Predicted)
• PSA: 34.89000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 3.46160

Purity/Quality:

97% ^*data from raw suppliers

5-chloro-1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-(1-methylethyl)-1-phenyl-

There total 2 articles about 1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-(1-methylethyl)-1-phenyl- 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: 87.0%

5-isopropyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (64123-72-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-chloro-3-isopropyl-1-phenyl-1H-pyrazole-4-carbaldehyde (139347-65-2)

Guidance literature:

With trichlorophosphate; Heating;

DOI:10.1021/jo00033a039

Reference yield: 26.86%

→ 5-chloro-3-isopropyl-1-phenyl-1H-pyrazole-4-carbaldehyde (139347-65-2)

Guidance literature:

With trichlorophosphate; for 1h; Cooling with ice;

at 100 - 120 ℃; for 0.333333h; Inert atmosphere; Cooling with ice;

Reference yield: 95.0%

5-chloro-3-isopropyl-1-phenyl-1H-pyrazole-4-carbaldehyde (139347-65-2) → 5-Azido-3-isopropyl-1-phenylpyrazole-4-carboxaldehyde

Guidance literature:

With sodium azide; In dimethyl sulfoxide; at 70 ℃; for 1h;

DOI:10.1021/jo00033a039

upstream raw materials:

5-isopropyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

N,N-dimethyl-formamide

Downstream raw materials:

1-phenyl-3-isopropyl-4-formyl-5-mercaptopyryzole

5-(4-chloro-phenoxy)-3-isopropyl-1-phenyl-1H-pyrazole-4-carbaldehyde

5-(4-chloro-phenoxy)-3-isopropyl-1-phenyl-1H-pyrazole-4-carbaldehyde oxime

5-Isopropyl-4-[1-methylamino-meth-(Z)-ylidene]-2-phenyl-2,4-dihydro-pyrazole-3-thione

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