15-Sulfanylpentadecanoic acid

Base Information

Chemical Name:15-Sulfanylpentadecanoic acid
CAS No.:184639-70-1
Molecular Formula:C15H30O2S
Molecular Weight:274.468
Hs Code.:
European Community (EC) Number:693-902-4
DSSTox Substance ID:DTXSID50584860
Nikkaji Number:J952.419C
Wikidata:Q82476602
Mol file:184639-70-1.mol

Synonyms:184639-70-1;15-Sulfanylpentadecanoic acid;15-Mercaptopentadecanoic acid;Pentadecanoic acid, 15-mercapto-;SCHEMBL625955;DTXSID50584860

Suppliers and Price of 15-Sulfanylpentadecanoic 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

Total 3 raw suppliers

Chemical Property of 15-Sulfanylpentadecanoic acid

Chemical Property:

Melting Point:67-71?°C
Boiling Point:408.2±18.0 °C(Predicted)
PKA:4.78±0.10(Predicted)
PSA：76.10000
Density:0.963±0.06 g/cm3(Predicted)
LogP:5.07210
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:14
Exact Mass:274.19665137
Heavy Atom Count:18
Complexity:183

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(CCCCCCCS)CCCCCCC(=O)O

Technology Process of 15-Sulfanylpentadecanoic acid

There total 1 articles about 15-Sulfanylpentadecanoic 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: 82.0%

: 56523-59-2
15-bromo-pentadecanoic acid

: 184639-70-1
15-mercapto pentadecanoic acid

Guidance literature:: With trisodium thiophosphate; In water; N,N-dimethyl-formamide; at 25 - 50 ℃; for 72h;
DOI:10.1002/1099-0682(200205)2002:5<1219::AID-EJIC1219>3.0.CO;2-N

Reference yield: 67.0%

: 76-83-5
trityl chloride

: 184639-70-1
15-mercapto pentadecanoic acid

: C₃₄H₄₄O₂S

Guidance literature:: In N,N-dimethyl-formamide; for 6h; Inert atmosphere;
DOI:10.1021/la402144g

Reference yield:

: 184639-70-1
15-mercapto pentadecanoic acid

: C₂₉H₃₉N₃O₂S

Guidance literature:: Multi-step reaction with 3 steps

1: N,N-dimethyl-formamide / 6 h / Inert atmosphere

2: 6-chloro-3-((dimethylamino)(dimethyliminio)methyl)-1H-benzo[d][1,2,3]triazol-3-ium-1-olatehexafluorophosphate(V); dmap; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; acetonitrile / 24 h / Inert atmosphere

3: trifluoroacetic acid; chlorotriisopropylsilane / 0.17 h / 0 °C

With dmap; 6-chloro-3-((dimethylamino)(dimethyliminio)methyl)-1H-benzo[d][1,2,3]triazol-3-ium-1-olatehexafluorophosphate(V); chlorotriisopropylsilane; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/la402144g