2-Chloro-4-(trifluoromethoxy)benzaldehyde

Base Information

• Chemical Name: 2-Chloro-4-(trifluoromethoxy)benzaldehyde
• CAS No.: 1079351-20-4
• Molecular Formula: C8H4ClF3O2
• Molecular Weight: 224.567
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID20703465
• Wikidata: Q82635636
• Mol file: 1079351-20-4.mol

Synonyms:2-Chloro-4-(trifluoromethoxy)benzaldehyde;1079351-20-4;2-Chloro-4-trifluoromethoxy-benzaldehyde;SCHEMBL3148079;DTXSID20703465;SKDQZVYCAZFRQT-UHFFFAOYSA-N;MFCD18393768;AKOS022173537;CS-W007142;DS-7345;F12182;A895380

Chemical Property of 2-Chloro-4-(trifluoromethoxy)benzaldehyde

Chemical Property:

• PSA: 26.30000
• LogP: 3.05110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.2
• 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:

97% ^*data from raw suppliers

2-Chloro-4-(trifluoromethoxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC(F)(F)F)Cl)C=O

Technology Process of 2-Chloro-4-(trifluoromethoxy)benzaldehyde

There total 2 articles about 2-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: 72.0%

2-chloro-1-iodo-4-(trifluoromethoxy)benzene (345226-19-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-chloro-4-trifluoromethoxybenzaldehyde (1079351-20-4)

Guidance literature:

2-chloro-1-iodo-4-(trifluoromethoxy)benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; diethyl ether; hexane; at -78 ℃; for 0.25h;

DOI:10.1021/jm1010644

Reference yield:

2-chloro-4-(trifluoromethoxy)benzonitrile (874482-94-7) → 2-chloro-4-trifluoromethoxybenzaldehyde (1079351-20-4)

Guidance literature:

2-chloro-4-(trifluoromethoxy)benzonitrile; With diisobutylaluminium hydride; In toluene; at -78 ℃; for 2.66667h;

With L-Tartaric acid; water; In toluene; for 1h; Cooling with ice;

Reference yield:

2-chloro-4-trifluoromethoxybenzaldehyde (1079351-20-4) + 1-amino-3-(1-ethylpropyl)-5-methyl-1H-pyrrole-2-carboxylic acid methylamide (1079351-19-1) → 2-[2-chloro-4-(trifluoromethoxy)phenyl]-5-(1-ethylpropyl)-3,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one (1079351-22-6)

Guidance literature:

With pyrographite; In xylene; at 130 ℃; for 27h;

upstream raw materials:

2-chloro-4-(trifluoromethoxy)benzonitrile

2-chloro-1-iodo-4-(trifluoromethoxy)benzene

N,N-dimethyl-formamide

Downstream raw materials:

2-[2-chloro-4-(trifluoromethoxy)phenyl]-5-(1-ethylpropyl)-3,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one