Ethyl 8-chlorooctanoate

Base Information

• Chemical Name: Ethyl 8-chlorooctanoate
• CAS No.: 105484-55-7
• Molecular Formula: C10H19ClO2
• Molecular Weight: 206.713
• Hs Code.: 2915900090
• European Community (EC) Number: 600-658-4
• DSSTox Substance ID: DTXSID90462996
• Nikkaji Number: J2.776.058I
• Wikidata: Q82287689
• Mol file: 105484-55-7.mol

Synonyms:Ethyl 8-chlorooctanoate;105484-55-7;8-Chloro-octanoic acid ethyl ester;8-CHLOROOCTANOIC ACID ETHYL ESTER;Octanoic acid, 8-chloro-, ethyl ester;SCHEMBL1363140;AMY8822;DTXSID90462996;AKOS015850593;A935018

Chemical Property of Ethyl 8-chlorooctanoate

Chemical Property:

• Vapor Pressure: 0.0204mmHg at 25°C
• Refractive Index: 1.44
• Boiling Point: 251.5 °C at 760 mmHg
• Flash Point: 107.5 °C
• PSA: 26.30000
• Density: 0.991 g/cm³
• LogP: 3.12890
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 206.1073575
• Heavy Atom Count: 13
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

Ethyl8-chlorooctanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCCCl
• Use Description: 8-Chloro-octanoic acid ethyl ester, a chemical compound, has applications in various fields. In the field of organic chemistry and synthesis, it serves as a valuable building block for the creation of complex organic molecules. Its role is pivotal in the development of diverse chemical compounds used in academic research and the production of specialty chemicals. Additionally, in the pharmaceutical industry, this compound may find utility as an intermediate in the synthesis of pharmaceuticals, contributing to the creation of novel drug candidates with potential therapeutic properties. Furthermore, in the field of materials science, it can be employed as a starting material for the synthesis of polymers and materials with specific properties, aiding in the development of innovative materials for various applications. Its versatility across these fields underscores its significance in chemical research, drug development, materials science, and the potential advancement of various technologies and products.

Technology Process of Ethyl 8-chlorooctanoate

There total 2 articles about Ethyl 8-chlorooctanoate 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%

ethanol (64-17-5) + ω-chlorocaprylic acid (1795-62-6) → ethyl 8-chlorooctanoate (105484-55-7) + water (7732-18-5)

Guidance literature:

for 3h; Neat (no solvent);

Reference yield: 71.0%

6-chlorohexene (928-89-2) + ethyl bromoacetate (105-36-2) → ethyl 8-chlorooctanoate (105484-55-7)

Guidance literature:

In hexane; water; for 6h; Irradiation;

DOI:10.1021/ol4011536

Reference yield:

ethyl 8-chlorooctanoate (105484-55-7) + 6-chloro-benzo[e][1,3]oxazine-2,4-dione (24088-81-1) → C17H24ClNO4 + ethyl 8-(6-chloro-2H-1,3-benzoxazine-2,4(3H)-dionyl)octanoate (287935-38-0)

Guidance literature:

With sodium carbonate; sodium bromide; In N,N-dimethyl-formamide; at 100 - 120 ℃; for 2h;

upstream raw materials:

ethanol

ω-chlorocaprylic acid

6-chlorohexene

ethyl bromoacetate

Downstream raw materials:

ethyl 8-(6-chloro-2H-1,3-benzoxazine-2,4(3H)-dionyl)octanoate

Refernces

• 1、 -. "Process for the monoalkylation of C-H acid methylene groups". Page/Page column 6. . Retrieved 2008/06/13.