ISOBUTYL P-TOLUENESULFONATE

Base Information

• Chemical Name: ISOBUTYL P-TOLUENESULFONATE
• CAS No.: 4873-56-7
• Molecular Formula: C11H16 O3 S
• Molecular Weight: 228.312
• Mol file: 4873-56-7.mol

Synonyms:p-Toluenesulfonicacid, isobutyl ester (6CI,7CI,8CI); Isobutyl p-toluenesulfonate; Isobutyltosylate; NSC 214493

Chemical Property of ISOBUTYL P-TOLUENESULFONATE

Chemical Property:

• Vapor Pressure: 0.000145mmHg at 25°C
• Refractive Index: 1.5025
• Boiling Point: 329.1°Cat760mmHg
• Flash Point: 152.8°C
• PSA: 51.75000
• Density: 1.12g/cm³
• LogP: 3.43710

Purity/Quality:

99%, ^*data from raw suppliers

Isobutylp-Toluenesulfonate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38-45
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ISOBUTYL P-TOLUENESULFONATE

There total 4 articles about ISOBUTYL P-TOLUENESULFONATE 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: 100.0%

2-methyl-propan-1-ol (78-83-1) + p-toluenesulfonyl chloride (98-59-9) → isobutyl p-toluenesulfonate (4873-56-7)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In water; toluene; at 40 - 50 ℃; for 1h;

Reference yield: 13.0%

N-isobutyl-N'-(4-toluenesulfonyloxy)diimide N-oxide (31753-82-9) → (Z)-2-Butene (590-18-1) + trans-2-Butene (624-64-6) + isobutyl p-toluenesulfonate (4873-56-7) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With sodium carbonate; In chloroform; at 100 ℃; for 336h; Product distribution; Mechanism;

DOI:10.1021/jo00316a014

Reference yield:

N-isobutyl-N-nitro-4-toluenesulfonamide (75934-50-8) → (Z)-2-Butene (590-18-1) + trans-2-Butene (624-64-6) + isobutyl p-toluenesulfonate (4873-56-7) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With sodium carbonate; In chloroform; at 100 ℃; for 672h; Product distribution; Mechanism;

DOI:10.1021/jo00316a014

upstream raw materials:

2-methyl-propan-1-ol

p-toluenesulfonyl chloride

N-isobutyl-N'-(4-toluenesulfonyloxy)diimide N-oxide

N-isobutyl-N-nitro-4-toluenesulfonamide

Downstream raw materials:

2-isobutoxy-4-nitrobenzoic acid

Isobutyl iodide

2-(3-formyl-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester

Refernces

• 1、 -. "New preparation method of febuxostat intermediate". Paragraph 0094-0097; 0122-0124. . Retrieved 2020/03/06.
• 2、 Wu, Ya,Yang, Jing-Hua,Dai, Gui-Fu,Liu, Cong-Jun,Tian, Guo-Qiang,Ma, Wen-Yan,Tao, Jing-Chao. "Stereoselective synthesis of bioactive isosteviol derivatives as α-glucosidase inhibitors". experimental part. p. 1464 - 1473. Retrieved 2009/09/05.