4-(3-Bromo-4-methoxyphenyl)-1,1,1-trifluoro-2-butanone

Base Information

Chemical Name:4-(3-Bromo-4-methoxyphenyl)-1,1,1-trifluoro-2-butanone
CAS No.:288310-71-4
Molecular Formula:C₁₁H₁₀BrF₃O₂
Molecular Weight:311.098
Hs Code.:
DSSTox Substance ID:DTXSID901211601
Nikkaji Number:J1.387.954K

Synonyms:4-(3-Bromo-4-methoxyphenyl)-1,1,1-trifluoro-2-butanone;288310-71-4;DTXSID901211601

Suppliers and Price of 4-(3-Bromo-4-methoxyphenyl)-1,1,1-trifluoro-2-butanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-(3-Bromo-4-methoxyphenyl)-1,1,1-trifluoro-2-butanone

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:309.98163
Heavy Atom Count:17
Complexity:268

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)CCC(=O)C(F)(F)F)Br

Technology Process of 4-(3-Bromo-4-methoxyphenyl)-1,1,1-trifluoro-2-butanone

There total 4 articles about 4-(3-Bromo-4-methoxyphenyl)-1,1,1-trifluoro-2-butanone 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:

: 946-62-3
3-(3-bromo-4-methoxyphenyl)propanoyl chloride

: 407-25-0
trifluoroacetic anhydride

: 288310-71-4
4-(3-bromo-4-methoxy-phenyl)-1,1,1-trifluoro-bytan-2-one

Guidance literature:: With pyridine; In dichloromethane; at -10 ℃; for 5h;
DOI:10.1021/jo000458j

Reference yield:

: 288310-70-3
3-(3-bromo-4-methoxyphenyl)-propionic acid methyl ester

: 288310-71-4
4-(3-bromo-4-methoxy-phenyl)-1,1,1-trifluoro-bytan-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: 98 percent / NaOH / methanol; H₂O / 2.5 h / 20 °C

2: oxalyl chloride / CH₂Cl₂ / 3 h / 20 °C

3: 877 mg / pyridine / CH₂Cl₂ / 5 h / -10 °C

With pyridine; sodium hydroxide; oxalyl dichloride; In methanol; dichloromethane; water; 1: Hydrolysis / 2: Substitution / 3: Substitution;
DOI:10.1021/jo000458j

Reference yield:

: 15823-04-8
methyl 3-(4-methoxyphenyl)propionate

: 288310-71-4
4-(3-bromo-4-methoxy-phenyl)-1,1,1-trifluoro-bytan-2-one

Guidance literature:: Multi-step reaction with 4 steps

1: 92 percent / Br₂; AlCl₃ / CH₂Cl₂ / 0.33 h / 0 °C

2: 98 percent / NaOH / methanol; H₂O / 2.5 h / 20 °C

3: oxalyl chloride / CH₂Cl₂ / 3 h / 20 °C

4: 877 mg / pyridine / CH₂Cl₂ / 5 h / -10 °C

With pyridine; sodium hydroxide; aluminium trichloride; oxalyl dichloride; bromine; In methanol; dichloromethane; water; 1: Substitution / 2: Hydrolysis / 3: Substitution / 4: Substitution;
DOI:10.1021/jo000458j