1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde
• CAS No.: 400877-26-1
• Molecular Formula: C10H7ClN2O
• Molecular Weight: 206.631
• Hs Code.: 2933199090
• Mol file: 400877-26-1.mol

Synonyms:1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde;UKRORGSYN-BB BBV-076407;1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde(SALTDATA: FREE);1-(3-Chlorophenyl)pyrazole-4-carbaldehyde

Chemical Property of 1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde

Chemical Property:

• Vapor Pressure: 3.9E-05mmHg at 25°C
• Boiling Point: 352.2°C at 760 mmHg
• PKA: -2.95±0.12(Predicted)
• Flash Point: 166.8°C
• PSA: 34.89000
• Density: 1.3g/cm³
• LogP: 2.33820
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde

There total 4 articles about 1-(3-chlorophenyl)-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: 98.5%

hexamethylenetetramine (100-97-0) + 1-(3-chloro-phenyl)-1H-pyrazole (57211-65-1) → 1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde (400877-26-1)

Guidance literature:

With trifluoroacetic acid; for 12h; chemoselective reaction; Reflux;

DOI:10.1080/00397911.2012.657764

Reference yield: 76.0%

[1-(3-chlorophenyl)-1H-pyrazol-4-yl] methanol (863609-07-8) → 1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde (400877-26-1)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 - 40 ℃;

Reference yield:

chlorobenzene (108-90-7) + 1H-pyrazole-4-carbaldehyde (35344-95-7) → 1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde (400877-26-1) + 1-(2-chlorophenyl)-1H-pyrazole-4-carbaldehyde (400877-15-8) + 1-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde (63874-99-7)

Guidance literature:

With C₂₄H₄₂N₃⁽¹⁺⁾*ClO₄^(1-); lithium perchlorate; acetic acid; In acetonitrile; at 20 ℃; for 72h; Overall yield = 56 percent; Overall yield = 46.3 mg; Electrochemical reaction; Sealed tube; Irradiation;

DOI:10.1002/anie.201906381

upstream raw materials:

[1-(3-chlorophenyl)-1H-pyrazol-4-yl] methanol

hexamethylenetetramine

3-chlorophenyl hydrazine

1-(3-chloro-phenyl)-1H-pyrazole

Downstream raw materials:

1-[1-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanol