Methyl cyclooctanecarboxylate

Base Information

Chemical Name:Methyl cyclooctanecarboxylate
CAS No.:3724-54-7
Molecular Formula:C10H18 O2
Molecular Weight:170.252
Hs Code.:2916209090
European Community (EC) Number:223-075-3
NSC Number:119520
UNII:X54JIQ3JK3
DSSTox Substance ID:DTXSID6063149
Nikkaji Number:J79.847I
Wikidata:Q81990518
Mol file:3724-54-7.mol

Synonyms:Methyl cyclooctanecarboxylate;3724-54-7;Cyclooctanecarboxylic acid, methyl ester;Cyclooctanecarboxylic acid methyl ester;X54JIQ3JK3;EINECS 223-075-3;NSC 119520;NSC-119520;methylcyclooctanecarboxylate;UNII-X54JIQ3JK3;Methyl cyclooctyl carboxylate;Cyclooctylcarbonsauremethylester;Methyl cyclooctanecarboxylate #;SCHEMBL6966832;DTXSID6063149;NSC119520;AKOS014312577;E87884;EN300-3481941;Z1255401208

Suppliers and Price of Methyl cyclooctanecarboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
Methylcyclooctanecarboxylate 97%
5g
$ 1651.00

Crysdot
Methylcyclooctanecarboxylate 97%
1g
$ 587.00

Total 8 raw suppliers

Chemical Property of Methyl cyclooctanecarboxylate

Chemical Property:

Vapor Pressure:0.144mmHg at 25°C
Boiling Point:215.9°Cat760mmHg
Flash Point:81.8°C
PSA：26.30000
Density:0.948g/cm³
LogP:2.51990
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:170.130679813
Heavy Atom Count:12
Complexity:135

Purity/Quality:

99% ^*data from raw suppliers

Methylcyclooctanecarboxylate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1CCCCCCC1

Technology Process of Methyl cyclooctanecarboxylate

There total 14 articles about Methyl cyclooctanecarboxylate 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: 98.0%

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

: 931-88-4,22770-27-0,3958-30-3,25267-51-0
1,2-cyclooctene

: 3724-54-7
methyl cyclooctanecarboxylate

Guidance literature:: With 1,3-bis(tert-butyl(pyridin-2-yl)phosphanyl)propane; palladium(II) acetylacetonate; toluene-4-sulfonic acid; for 20h; Sealed tube; Inert atmosphere; Autoclave;
DOI:10.1039/C8CC07470D

Reference yield: 84.0%

: 67-56-1
methanol

: 696-71-9
cyclooctanol

: 201230-82-2
carbon monoxide

: 3724-54-7
methyl cyclooctanecarboxylate

Guidance literature:: With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; trifluorormethanesulfonic acid; α,α′-bis(2-pyridyl(tert-butyl)phosphino)-o-xylene; at 140 ℃; for 48h; under 30003 Torr; Autoclave; Inert atmosphere;
DOI:10.1002/anie.201701950

Reference yield: 60.0%

: 67-56-1
methanol

: 64-18-6
formic acid

: 931-88-4,931-87-3,25267-51-0
cis-Cyclooctene

: 3724-54-7
methyl cyclooctanecarboxylate

Guidance literature:: formic acid; cis-Cyclooctene; With palladium diacetate; acetic anhydride; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 70 ℃; Inert atmosphere;

methanol; With sulfuric acid; for 2h; Inert atmosphere; Reflux;
DOI:10.1021/jacs.1c05206