pentyl 2-chlorobenzoate

Base Information

• Chemical Name: pentyl 2-chlorobenzoate
• CAS No.: 70086-68-9
• Molecular Formula: C12H15ClO2
• Molecular Weight: 226.703
• Mol file: 70086-68-9.mol

Synonyms:NSC 8241;Pentyl o-chlorobenzoate;n-Pentyl 2-chlorobenzoate;

Chemical Property of pentyl 2-chlorobenzoate

Chemical Property:

• Vapor Pressure: 0.00148mmHg at 25°C
• Refractive Index: 1.51
• Boiling Point: 295.9 °C at 760 mmHg
• Flash Point: 138.8 °C
• Density: 1.104 g/cm³

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of pentyl 2-chlorobenzoate

There total 2 articles about pentyl 2-chlorobenzoate 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: 70.0%

pentan-1-ol (71-41-0) + 2-chloro-benzaldehyde (89-98-5) → amyl o-chlorobenzoate (70086-68-9)

Guidance literature:

With urea-2,2-dihydroperoxypropane; hydrogen bromide; acetic acid; at 20 ℃; for 10h;

DOI:10.1002/jccs.201600777

Reference yield: 60.7%

2-Chlorobenzonitrile (873-32-5) + pentan-1-ol (71-41-0) → amyl o-chlorobenzoate (70086-68-9)

Guidance literature:

With iron(III) chloride; for 1h; Heating;

DOI:10.1080/00397910600770722

Reference yield:

amyl o-chlorobenzoate (70086-68-9) + chloro-diphenylphosphine (1079-66-9,74391-44-9) → ortho-diphenylphosphinobenzoic acid (17261-28-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium / 2-methyltetrahydrofuran / 2 h / 81 - 83 °C

1.2: 10 h / 25 °C

2.1: sodium hydroxide / tetrahydrofuran; 2-methyltetrahydrofuran

With sodium; sodium hydroxide; In tetrahydrofuran; 2-methyltetrahydrofuran;

upstream raw materials:

2-Chlorobenzonitrile

pentan-1-ol

2-chloro-benzaldehyde

Downstream raw materials:

ortho-diphenylphosphinobenzoic acid

Refernces

• 1、 Srinivasan,Rao, K. Srinivasa,Jayachitra,Ralte, Samuel L.. "Iron(III) chloride-promoted direct conversion of aryl/alkyl cyanides to esters". . p. 2883 - 2886. Retrieved 2007/10/03.