Octan-2-yl 2-chloroacetate

Base Information

• Chemical Name: Octan-2-yl 2-chloroacetate
• CAS No.: 20411-47-6
• Molecular Formula: C10H19 Cl O2
• Molecular Weight: 206.713
• Hs Code.: 2915400090
• European Community (EC) Number: 243-799-3
• NSC Number: 404447,6018
• UNII: 3NP3W3Z5N8
• DSSTox Substance ID: DTXSID801258684
• Nikkaji Number: J280.587A
• Mol file: 20411-47-6.mol

Synonyms:octan-2-yl 2-chloroacetate;20411-47-6;1-Methylheptyl chloroacetate;NSC-6018;EINECS 243-799-3;NSC-404447;AI3-18522;Acetic acid, chloro-, 1-methylheptyl ester;Acetic acid, 2-chloro-, 1-methylheptyl ester;Octan-2-yl2-chloroacetate;Chloroacetic acid, 2-octyl ester;2-Octyl chloroacetate;2-Octanol, chloroacetate;1-Methylheptyl chloroacetate #;3NP3W3Z5N8;NSC6018;DTXSID801258684;NSC 6018;NSC404447;Chloroacetic acid 1-methylheptyl ester;NSC 404447;E89174;W-110520

Chemical Property of Octan-2-yl 2-chloroacetate

Chemical Property:

• Vapor Pressure: 0.0534mmHg at 25°C
• Boiling Point: 234.3°Cat760mmHg
• Flash Point: 111.4°C
• PSA: 26.30000
• Density: 0.989g/cm³
• LogP: 3.12730
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 206.1073575
• Heavy Atom Count: 13
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

Octan-2-yl 2-chloroacetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)OC(=O)CCl

Technology Process of Octan-2-yl 2-chloroacetate

There total 2 articles about Octan-2-yl 2-chloroacetate 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:

(R)-Octan-2-ol (5978-70-1,113301-48-7,4128-32-9) + chloroacetyl chloride (79-04-9) → chloro-acetic acid-(1-methyl-heptyl ester) (20411-47-6)

Guidance literature:

With pyridine; chloroacetic acid-;

Reference yield:

→ chloro-acetic acid-(1-methyl-heptyl ester) (20411-47-6)

Guidance literature:

neben weniger 2-Chlor-decansaeure aus Chloressigsaeure, Oct-1-en, Di-tert-butyl-peroxid (Δ);

Reference yield: 93.3%

4-amino-3,5-dichloro-6-fluoro-2-pyridinol (94133-62-7) + chloro-acetic acid-(1-methyl-heptyl ester) (20411-47-6) → 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid 1-methylheptyl ester (81406-37-3)

Guidance literature:

In N,N-dimethyl acetamide; at 150 ℃; for 3h;

upstream raw materials:

(R)-Octan-2-ol

chloroacetyl chloride

Downstream raw materials:

2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid 1-methylheptyl ester