3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE

Base Information

• Chemical Name: 3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
• CAS No.: 306936-57-2
• Molecular Formula: C10H7FN2O
• Molecular Weight: 190.177
• Hs Code.: 2933199090
• Mol file: 306936-57-2.mol

Synonyms:3-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde;1H-Pyrazole-4-carboxaldehyde, 5-(4-fluorophenyl)-;5-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde;

Chemical Property of 3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE

Chemical Property:

• Vapor Pressure: 3.96E-07mmHg at 25°C
• Melting Point: 160 °C
• Refractive Index: 1.622
• Boiling Point: 416 °C at 760 mmHg
• PKA: 10.69±0.50(Predicted)
• Flash Point: 205.4 °C
• PSA: 45.75000
• Density: 1.337 g/cm³
• LogP: 2.02830
• Sensitive.: Air Sensitive

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Fluorophenyl)pyrazole-4-carboxaldehyde >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE

There total 4 articles about 3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE 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: 86.0%

4-fluoroacetophenone semicarbazone (326-33-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde (306936-57-2)

Guidance literature:

4-fluoroacetophenone semicarbazone; N,N-dimethyl-formamide; With trichlorophosphate;

With sodium hydroxide; water;

DOI:10.1016/j.bmcl.2008.08.058

Reference yield: 75.0%

4-fluoroacetophenone semicarbazone (326-33-0) → 3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde (306936-57-2)

Guidance literature:

4-fluoroacetophenone semicarbazone; With N,N-dimethyl-formamide; trichlorophosphate; at 0 - 70 ℃; for 4h;

With sodium hydroxide; In water; at 60 ℃; for 0.0833333h; Cooling;

Reference yield:

(E)-2-(1-(4-fluorophenyl)ethylidene)hydrazinecarboxamide (120445-82-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde (306936-57-2)

Guidance literature:

(E)-2-(1-(4-fluorophenyl)ethylidene)hydrazinecarboxamide; N,N-dimethyl-formamide; With trichlorophosphate; at 5 - 70 ℃; for 2h;

With water; sodium hydroxide; at 0 - 70 ℃; for 1h; pH=7;

upstream raw materials:

4-fluoroacetophenone semicarbazone

N,N-dimethyl-formamide

1-(4-fluorophenyl)ethanone

(E)-2-(1-(4-fluorophenyl)ethylidene)hydrazinecarboxamide

Downstream raw materials:

2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-methylene-1,3-indandione