6-Chlorohexyl 2-methylprop-2-enoate

Base Information

• Chemical Name: 6-Chlorohexyl 2-methylprop-2-enoate
• CAS No.: 45101-66-4
• Molecular Formula: C10H17ClO2
• Molecular Weight: 204.697
• European Community (EC) Number: 813-266-5
• DSSTox Substance ID: DTXSID70569210
• Nikkaji Number: J680.253B
• Wikidata: Q72451685
• Mol file: 45101-66-4.mol

Synonyms:45101-66-4;6-Chlorohexyl methacrylate;6-CHLOROHEXYL 2-METHYLPROP-2-ENOATE;6-Chlorohexylmethacrylate;2-Propenoic acid, 2-methyl-, 6-chlorohexyl ester;6-Chlorohexyl-2-methylacrylate;SCHEMBL3193637;DTXSID70569210;VYJSFGVWWBBFBE-UHFFFAOYSA-N;E85256;2-METHYL-ACRYLIC ACID 6-CHLORO-HEXYL ESTER

Chemical Property of 6-Chlorohexyl 2-methylprop-2-enoate

Chemical Property:

• Vapor Pressure: 3.01Pa at 25℃
• Boiling Point: 264.7±23.0℃ (760 Torr)
• Flash Point: 118.1±18.1℃
• PSA: 26.30000
• Density: 1.006±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 2.90490
• Water Solubility.: 16.37mg/L at 25℃
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 204.0917075
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C(=O)OCCCCCCCl

Technology Process of 6-Chlorohexyl 2-methylprop-2-enoate

There total 3 articles about 6-Chlorohexyl 2-methylprop-2-enoate 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: 91.6%

oxepane (592-90-5) + Methacryloyl chloride (920-46-7,26937-45-1) → 2-methyl-acrylic acid 6-chloro-hexyl ester (45101-66-4)

Guidance literature:

With zinc(II) chloride; In cyclohexane; at 80 ℃; for 6h;

Reference yield: 78.0%

6-chloro-1-hexanol (2009-83-8) + Methacryloyl chloride (920-46-7,26937-45-1) → 2-methyl-acrylic acid 6-chloro-hexyl ester (45101-66-4)

Guidance literature:

With pyridine; In chloroform; at 20 ℃; for 3h;

DOI:10.1080/15421400902841361

Reference yield:

6-chloro-1-hexanol (2009-83-8) + poly(methacrylic acid) (79-41-4,25087-26-7,50867-57-7) → 2-methyl-acrylic acid 6-chloro-hexyl ester (45101-66-4)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In tetrahydrofuran; at 20 ℃; for 24h;

upstream raw materials:

6-chloro-1-hexanol

Methacryloyl chloride

poly(methacrylic acid)

oxepane

Downstream raw materials:

4-diphenylamino-benzoic acid 4'-[6-(2-methyl-acryloyloxy)-hexyloxy]-biphenyl-4-yl ester

4-{[6-(methacryloyloxy)hexyl]oxy}benzoic acid

(E)-3-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]prop-2-enoic acid

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