P-TOLUENESULFONIC ACID N-HEXYL ESTER

Base Information

• Chemical Name: P-TOLUENESULFONIC ACID N-HEXYL ESTER
• CAS No.: 3839-35-8
• Molecular Formula: C13H20 O3 S
• Molecular Weight: 256.366
• Hs Code.: 2905199090
• Mol file: 3839-35-8.mol

Synonyms:Hexylalcohol, p-toluenesulfonate (6CI); p-Toluenesulfonic acid, hexyl ester(7CI,8CI); Hexyl p-toluenesulfonate; Hexyl p-tosylate; Hexyl tosylate; NSC3219; n-Hexyl tosylate

Chemical Property of P-TOLUENESULFONIC ACID N-HEXYL ESTER

Chemical Property:

• Refractive Index: 1.4980 to 1.5010
• Boiling Point: 364.3°Cat760mmHg
• Flash Point: 174.1°C
• PSA: 51.75000
• Density: 1.084g/cm³
• LogP: 4.36140

Purity/Quality:

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

Hexyl p-Toluenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Hexyl p-Toluenesulfonate is a reactant in the synthesis of 7-bromo-5-(2''-chlorophenyl)-3-hydroxy-1-methyl-1,2-dihydro-3H-1,4-benzodiazepin-2-one 1 and 7-bromo-5-(2''-chloro)phenyl-1-hexyl-1,2,4,5-tetrahydro-3H-1,4-benzodiazepin-2,3-dione. Also, it is used to synthesize carbazates.

Technology Process of P-TOLUENESULFONIC ACID N-HEXYL ESTER

There total 18 articles about P-TOLUENESULFONIC ACID N-HEXYL 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: 95.0%

p-toluenesulfonyl chloride (98-59-9) + hexan-1-ol (111-27-3) → 4-methylbenzenesulfonic acid n-hexylester (3839-35-8)

Guidance literature:

With pyridine;

Reference yield: 87.0%

6-iodohexyl 4-methylbenzenesulfonate → 4-methylbenzenesulfonic acid n-hexylester (3839-35-8)

Guidance literature:

With 1,1,3,3-Tetramethyldisiloxane; [1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene]copper(I) tert-butoxide; cesium fluoride; In 1,4-dioxane; at 0 - 25 ℃; for 24h; Inert atmosphere;

DOI:10.1002/anie.201307697

Reference yield: 67.0%

sodium 4-methylbenzenesulfinate (824-79-3) + hexan-1-ol (111-27-3) → 4-methylbenzenesulfonic acid n-hexylester (3839-35-8)

Guidance literature:

With iodine; sodium methylate; In acetonitrile; at 20 ℃; for 5h; Green chemistry;

DOI:10.1039/c5ra00724k

upstream raw materials:

p-toluenesulfonyl chloride

hexan-1-ol

1-hexyl acetate

p-toluenesulfonic acid monohydrate

Downstream raw materials:

hexan-1-ol

1-phenoxyhexane

2-(3,5-di-tert-butyl-4-hydroxyphenyl)-6-n-hexyloxypurine

n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate

Refernces

• 1、 -. "A preparing method of diethylamino hydroxybenzoyl hexylbenzoate". Paragraph 0081-0083. . Retrieved 2020/03/28.
• 2、 -. "Method for preparing N,N-Dimethylaniline compound through alkylation of alkyl tosylate". Paragraph 0064-0065; 0068; 0071; 0074; 0077. . Retrieved 2019/07/11.