4-(Trifluoromethylsulfony)phenylacetic acid

Base Information

• Chemical Name: 4-(Trifluoromethylsulfony)phenylacetic acid
• CAS No.: 1099597-82-6
• Molecular Formula: C9H7F3O4S
• Molecular Weight: 268.21
• Hs Code.: 2916399090
• Mol file: 1099597-82-6.mol

Synonyms:4-(Trifluoromethylsulfony)phenylacetic acid;(4-trifluoromethanesulfonylphenyl)acetic acid;4-(Trifluoromethylsulfonyl)phenylacetic acid;Y7035;

Chemical Property of 4-(Trifluoromethylsulfony)phenylacetic acid

Chemical Property:

• Melting Point: 125-128℃
• Boiling Point: 381.8±42.0 °C(Predicted)
• PKA: 3.78±0.10(Predicted)
• PSA: 79.82000
• Density: 1.532±0.06 g/cm3(Predicted)
• LogP: 2.68800
• Water Solubility.: Slightly soluble in water, soluble in organic solvents.

Purity/Quality:

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

4-(Trifluoromethylsulfony)phenylaceticAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-(Trifluoromethylsulfonyl)phenylacetic acid, is used as a primary and secondary intermediate.

Technology Process of 4-(Trifluoromethylsulfony)phenylacetic acid

There total 4 articles about 4-(Trifluoromethylsulfony)phenylacetic acid 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:

2-(4-((trifluoromethyl)thio)phenyl)acetic acid (243977-23-3) → 2-(4-(trifluoromethylsulfonyl)phenyl)acetic acid (1099597-82-6)

Guidance literature:

With dihydrogen peroxide; In acetic acid;

Reference yield:

4-trifluoromethylthiotoluene (352-68-1) → 2-(4-(trifluoromethylsulfonyl)phenyl)acetic acid (1099597-82-6)

Guidance literature:

Multi-step reaction with 4 steps

1: Br₂ / benzene / Irradiation

2: ethanol

3: aq. NaOH

4: aq. H₂O₂ / acetic acid

With sodium hydroxide; dihydrogen peroxide; bromine; In ethanol; acetic acid; benzene;

Reference yield:

4-(trifluoromethylthio)benzyl bromide (21101-63-3) → 2-(4-(trifluoromethylsulfonyl)phenyl)acetic acid (1099597-82-6)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol

2: aq. NaOH

3: aq. H₂O₂ / acetic acid

With sodium hydroxide; dihydrogen peroxide; In ethanol; acetic acid;

upstream raw materials:

2-(4-((trifluoromethyl)thio)phenyl)acetic acid

4-trifluoromethylthiotoluene

4-(trifluoromethylthio)benzyl bromide

2-(4-((trifluoromethyl)thio)phenyl)acetonitrile