2-(Chloromethyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene

Base Information

• Chemical Name: 2-(Chloromethyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene
• CAS No.: 918164-58-6
• Molecular Formula: C13H10ClF3S
• Molecular Weight: 290.737
• DSSTox Substance ID: DTXSID90580129
• Wikidata: Q82470888

Synonyms:2-(Chloromethyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene;918164-58-6;SCHEMBL2244394;DTXSID90580129;2-(Chloromethyl)-5-(4-(trifluoromethyl)phenyl)-3-methylthiophene

Chemical Property of 2-(Chloromethyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene

Chemical Property:

• PSA: 28.24000
• LogP: 5.48110
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 290.0143837
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=C1)C2=CC=C(C=C2)C(F)(F)F)CCl

Technology Process of 2-(Chloromethyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene

There total 1 articles about 2-(Chloromethyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene 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: 90.0%

[3-methyl-5-(4-trifluoromethylphenyl)thien-2-yl]methanol (476155-39-2) → 2-chloromethyl-3-methyl-5-(4-trifluoromethylphenyl)thiophene (918164-58-6)

Guidance literature:

With methanesulfonyl chloride; triethylamine; In dichloromethane; at 0 - 25 ℃; for 18h;

DOI:10.1039/b612235c

Reference yield: 80.0%

2-chloromethyl-3-methyl-5-(4-trifluoromethylphenyl)thiophene (918164-58-6) + (4-Mercapto-phenoxy)-acetic Acid Methyl Ester (1706-60-1) → methyl (4-[3-methyl-5-(4-trifluoromethylphenyl)thien-2-ylmethylthio]phenoxy)acetate (918164-62-2)

Guidance literature:

With caesium carbonate; In acetonitrile; at 25 ℃; for 2h;

DOI:10.1039/b612235c

Reference yield: 77.0%

2-chloromethyl-3-methyl-5-(4-trifluoromethylphenyl)thiophene (918164-58-6) + (4-mercapto-2-methyl-phenoxy)-acetic acid methyl ester (56077-47-5) → methyl (2-methyl-4-[3-methyl-5-(4-trifluoromethylphenyl)thien-2-ylmethylthio]phenoxy)acetate (918164-60-0)

Guidance literature:

With caesium carbonate; In acetonitrile; at 25 ℃; for 2h;

DOI:10.1039/b612235c

upstream raw materials:

[3-methyl-5-(4-trifluoromethylphenyl)thien-2-yl]methanol

Downstream raw materials:

(4S)-3-((3S)-3-(3-isoxazolyl)-3-(4-(((3-methyl-5-(4-(trifluoromethyl)phenyl)-2-thienyl)methyl)oxy)phenyl)propanoyl)-4-(phenylmethyl)-1,3-oxazolidin-2-one

methyl (4-[3-methyl-5-(4-trifluoromethylphenyl)thien-2-ylmethylthio]phenoxy)acetate

methyl (2-methyl-4-[3-methyl-5-(4-trifluoromethylphenyl)thien-2-ylmethylthio]phenoxy)acetate

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