7-(Methylsulfanyl)heptanoic acid

Base Information

Chemical Name:7-(Methylsulfanyl)heptanoic acid
CAS No.:111261-32-6
Molecular Formula:C8H16O2S
Molecular Weight:176.27600
Hs Code.:
DSSTox Substance ID:DTXSID20551943
Wikidata:Q82431857
Mol file:111261-32-6.mol

Synonyms:111261-32-6;7-Methylsulfanylheptanoic acid;7-(METHYLSULFANYL)HEPTANOIC ACID;Heptanoic acid, 7-(methylthio)-;8-thianonanoic acid;SCHEMBL20378734;DTXSID20551943;AKOS033979513;7-(METHYLSULFANYL)HEPTANOICACID;EN300-300139;A1-05738;Z1262519805

Suppliers and Price of 7-(Methylsulfanyl)heptanoic acid

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

TRC
7-(Methylsulfanyl)heptanoicAcid
10mg
$ 65.00

Matrix Scientific
7-Methylsulfanylheptanoic acid
2.500g
$ 1403.00

AK Scientific
7-(Methylsulfanyl)heptanoicacid
1g
$ 1121.00

Total 3 raw suppliers

Chemical Property of 7-(Methylsulfanyl)heptanoic acid

Chemical Property:

PSA：62.60000
LogP:2.38450
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:176.08710092
Heavy Atom Count:11
Complexity:104

Purity/Quality:

99% ^*data from raw suppliers

7-(Methylsulfanyl)heptanoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSCCCCCCC(=O)O

Technology Process of 7-(Methylsulfanyl)heptanoic acid

There total 2 articles about 7-(Methylsulfanyl)heptanoic acid 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: 100.0%

: 74-93-1
methylthiol

: 1119-60-4
hept-6-enoic acid

: 111261-32-6
7-(methylthio)heptanoic acid

Guidance literature:: With 2,2'-azobis(isobutyronitrile); at -20 ℃; for 3h; Irradiation;
DOI:10.1007/BF00597577

Reference yield: 98.0%

: 30515-28-7
7-bromoheptanoic acid

: 5188-07-8
sodium thiomethoxide

: 111261-32-6
7-(methylthio)heptanoic acid

Guidance literature:: With sodium hydroxide; In ethanol; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1021/ja906367h

Reference yield:

: 111261-32-6
7-(methylthio)heptanoic acid

: 68231-35-6,118099-24-4
diptocarpiline

Guidance literature:: Multi-step reaction with 5 steps

1: 60 percent / SOCl₂ / 0.5 h / 80 °C

2: NaN₃ / benzene / 10 °C

3: benzene / 1 h / 80 °C

4: benzene / 1 h / Heating

5: 65 percent / 30percent aq. H₂O₂, glac. CH₃CO₂H / 1 h / Ambient temperature

With thionyl chloride; sodium azide; dihydrogen peroxide; acetic acid; In benzene;
DOI:10.1007/BF00597577