3-Chloro-4-(trifluoromethoxy)benzaldehyde

Base Information

• Chemical Name: 3-Chloro-4-(trifluoromethoxy)benzaldehyde
• CAS No.: 83279-38-3
• Molecular Formula: C8H4ClF3O
• Molecular Weight: 208.567
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID101003254
• Wikidata: Q72460082
• Mol file: 83279-38-3.mol

Synonyms:3-Chloro-4-(trifluoromethoxy)benzaldehyde;83279-39-4;3-chloro-4-trifluoromethoxybenzaldehyde;Benzaldehyde, 3-chloro-4-(trifluoromethoxy)-;MFCD01631561;SCHEMBL851413;DTXSID101003254;BBL101203;CL8315;STL554999;AKOS005257279;CS-W023075;DS-0912;PS-7787;SY017564;AM20060803;FT-0651180;EN300-1725333;J-512213;Z1269112185

Chemical Property of 3-Chloro-4-(trifluoromethoxy)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.0576mmHg at 25°C
• Refractive Index: 1.496
• Boiling Point: 232.9 °C at 760 mmHg
• Flash Point: 94.6 °C
• PSA: 17.07000
• Density: 1.423 g/cm³
• LogP: 3.17130
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Insoluble in water.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 223.9851915
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chloro-4-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=O)Cl)OC(F)(F)F
• Uses: 3-Chloro-4-(trifluoromethyl)benzaldehyde is used in synthesis of organic compunds in γ-Aminobutyrate-A Receptor Modulation by 3-Aryl-1-(arylsulfonyl)- 1,4,5,6-tetrahydropyridazines.

Technology Process of 3-Chloro-4-(trifluoromethoxy)benzaldehyde

There total 2 articles about 3-Chloro-4-(trifluoromethoxy)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: 74.0%

3-chloro-4-(trifluoromethyl)benzonitrile (1092460-79-1) → 3-chloro-4-(trifluoromethyl)benzaldehyde (83279-38-3)

Guidance literature:

3-chloro-4-(trifluoromethyl)benzonitrile; With diisobutylaluminium hydride; In tetrahydrofuran; toluene; at 0 - 20 ℃; for 4h;

With hydrogenchloride; water; In tetrahydrofuran; toluene; at 0 - 20 ℃; for 1.5h;

Reference yield: 71.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 4-bromo-2-chloro-1-(trifluoromethyl)benzene (467435-07-0) → 3-chloro-4-(trifluoromethyl)benzaldehyde (83279-38-3)

Guidance literature:

4-bromo-2-chloro-1-(trifluoromethyl)benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.583333h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 ℃; Inert atmosphere;

Reference yield: 92.0%

3-chloro-4-(trifluoromethyl)benzaldehyde (83279-38-3) + 4-hydrazino-1-methyl-1H-pyrazolo[3,4-d]pyrimidine (5334-72-5) → 4-(3-chloro-4-trifluoromethylbenzylidene)-hydrazino-1-methyl-pyrazolo[3,4-d]pyrimidine

Guidance literature:

With acetic acid; In ethanol; Reflux;

upstream raw materials:

3-chloro-4-(trifluoromethyl)benzonitrile

N,N-dimethyl-formamide

4-bromo-2-chloro-1-(trifluoromethyl)benzene

Downstream raw materials:

5-(3-chloro-4-(trifluoromethyl)phenyl)-4-methyloxazole

3-(3-chloro-4-trifluoromethylphenyl)propan-1-ol

3-(3-chloro-4-trifluoromethylphenyl)propionaldehyde

3-(3-chloro-4-(trifluoromethyl)phenyl)propanoic acid

Refernces

• 1、 -. "TRPV1 ANTAGONISTS". Page/Page column 30-32. . Retrieved 2009/05/28.