2,4,6-TRIBROMOPHENYL N-HEXANOATE

Base Information

• Chemical Name: 2,4,6-TRIBROMOPHENYL N-HEXANOATE
• CAS No.: 16732-09-5
• Molecular Formula: C12H13Br3O2
• Molecular Weight: 428.94
• Hs Code.: 2915900090
• Mol file: 16732-09-5.mol

Synonyms:Phenol,2,4,6-tribromo-, hexanoate;2,4,6-Tribromophenyl caproate;Caproic acid 2,4,6-tribromophenyl ester;

Chemical Property of 2,4,6-TRIBROMOPHENYL N-HEXANOATE

Chemical Property:

• Vapor Pressure: 1.31E-06mmHg at 25°C
• Refractive Index: 1.569
• Boiling Point: 400.1 °C at 760 mmHg
• Flash Point: 195.8 °C
• PSA: 26.30000
• Density: 1.775 g/cm³
• LogP: 5.45980

Purity/Quality:

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

CaproicAcid2,4,6-TribromophenylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,4,6-TRIBROMOPHENYL N-HEXANOATE

There total 7 articles about 2,4,6-TRIBROMOPHENYL N-HEXANOATE 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%

hexanoic acid (142-62-1) + 2,4,6-tribromophenol (118-79-6) → 2,4,6-tribromophenyl hexanoate (16732-09-5)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1039/d1cc04525c

Reference yield:

Hexanoyl chloride (142-61-0) → 2,4,6-tribromophenyl hexanoate (16732-09-5)

Guidance literature:

Multi-step reaction with 3 steps

1: dicyclohexyl-carbodiimide; dmap / dichloromethane / 12 h / 20 °C

2: cetyltrimethylammonim bromide / aq. buffer / 4 h / 20 °C / pH 7 / Electrochemical reaction

3: dicyclohexyl-carbodiimide; dmap / dichloromethane / 12 h / 20 °C

With dmap; cetyltrimethylammonim bromide; dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1039/d1cc04525c

Reference yield:

benzyl hexanoate (6938-45-0) → 2,4,6-tribromophenyl hexanoate (16732-09-5)

Guidance literature:

Multi-step reaction with 2 steps

1: cetyltrimethylammonim bromide / aq. buffer / 4 h / 20 °C / pH 7 / Electrochemical reaction

2: dicyclohexyl-carbodiimide; dmap / dichloromethane / 12 h / 20 °C

With dmap; cetyltrimethylammonim bromide; dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1039/d1cc04525c

upstream raw materials:

Hexanoyl chloride

2,4,6-tribromophenol

hexanoic acid

benzyl hexanoate

Refernces