BENZOIC ACID, 2-CHLORO-4-(METHYLSULFONYL)-3-[(2,2,2-TRIFLUOROETHOXY)METHYL]-, 3-OXO-1-CYCLOHEXEN-1-YL ESTER

Base Information

• Chemical Name: BENZOIC ACID, 2-CHLORO-4-(METHYLSULFONYL)-3-[(2,2,2-TRIFLUOROETHOXY)METHYL]-, 3-OXO-1-CYCLOHEXEN-1-YL ESTER
• CAS No.: 263401-21-4
• Molecular Formula: C₁₇H₁₆ClF₃O₆S
• Molecular Weight: 440.825
• Mol file: 263401-21-4.mol

Synonyms:BENZOIC ACID, 2-CHLORO-4-(METHYLSULFONYL)-3-[(2,2,2-TRIFLUOROETHOXY)METHYL]-, 3-OXO-1-CYCLOHEXEN-1-YL ESTER

Chemical Property of BENZOIC ACID, 2-CHLORO-4-(METHYLSULFONYL)-3-[(2,2,2-TRIFLUOROETHOXY)METHYL]-, 3-OXO-1-CYCLOHEXEN-1-YL ESTER

Chemical Property:

Purity/Quality:

2-CHLORO-4-(METHYLSULFONYL)-3-[(2,2,2-TRIFLUOROETHOXY)METHYL]-BENZOIC ACID-3-OXO-1-CYCLOHEXEN-1-YL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of BENZOIC ACID, 2-CHLORO-4-(METHYLSULFONYL)-3-[(2,2,2-TRIFLUOROETHOXY)METHYL]-, 3-OXO-1-CYCLOHEXEN-1-YL ESTER

There total 6 articles about BENZOIC ACID, 2-CHLORO-4-(METHYLSULFONYL)-3-[(2,2,2-TRIFLUOROETHOXY)METHYL]-, 3-OXO-1-CYCLOHEXEN-1-YL ESTER 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: 92.0%

2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid (120100-77-8) + cyclohexane-1,2-dione (765-87-7) → 2-chloro-3-(2,2,2-trifluoroethoxy)methyl-4-methanesulfonylbenzoic acid 3-oxo-1-cyclohexenyl ester (263401-21-4)

Guidance literature:

2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid; With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 6h; Reflux;

cyclohexane-1,2-dione; With triethylamine; In dichloromethane; at 5 - 20 ℃; for 8h;

Reference yield:

2-chloro-3-methyl-4-(methylsulfonyl)benzoic acid methyl ester (120100-04-1) → 2-chloro-3-(2,2,2-trifluoroethoxy)methyl-4-methanesulfonylbenzoic acid 3-oxo-1-cyclohexenyl ester (263401-21-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrahydrofuran / 16 h / 20 °C

1.2: 4 h / Reflux

2.1: thionyl chloride / dichloromethane; N,N-dimethyl-formamide / 6 h / 20 °C / Reflux

2.2: 8 h / 5 - 20 °C

With thionyl chloride; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

2-methylchlorobenzene (95-49-8) → 2-chloro-3-(2,2,2-trifluoroethoxy)methyl-4-methanesulfonylbenzoic acid 3-oxo-1-cyclohexenyl ester (263401-21-4)

Guidance literature:

Multi-step reaction with 6 steps

1.1: aluminum (III) chloride / 1,2-dichloro-ethane / 10 h / 5 - 20 °C

2.1: aluminum (III) chloride / dichloromethane / 5 h / 15 - 20 °C

3.1: sodium hypochlorite / tetrahydrofuran / 5 h / 20 °C / Reflux

4.1: toluene-4-sulfonic acid / 10 h / Reflux

5.1: tetrahydrofuran / 16 h / 20 °C

5.2: 4 h / Reflux

6.1: thionyl chloride / dichloromethane; N,N-dimethyl-formamide / 6 h / 20 °C / Reflux

6.2: 8 h / 5 - 20 °C

With aluminum (III) chloride; sodium hypochlorite; thionyl chloride; toluene-4-sulfonic acid; In tetrahydrofuran; dichloromethane; 1,2-dichloro-ethane; N,N-dimethyl-formamide;

upstream raw materials:

2-chloro-3-methyl-4-(methylsulfonyl)benzoic acid methyl ester

2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid

cyclohexane-1,2-dione

2-methylchlorobenzene

Refernces