3-(Dodecylthio)propionic acid

Base Information

• Chemical Name: 3-(Dodecylthio)propionic acid
• CAS No.: 1462-52-8
• Molecular Formula: C15H30 O2 S
• Molecular Weight: 274.468
• Hs Code.: 2930909090
• European Community (EC) Number: 215-967-6
• NSC Number: 408524
• UNII: JO2D9SOE2R
• DSSTox Substance ID: DTXSID80883676
• Nikkaji Number: J117.254I
• Wikidata: Q27281597
• Mol file: 1462-52-8.mol

Synonyms:3-(Dodecylthio)propionic acid;1462-52-8;Propanoic acid, 3-(dodecylthio)-;3-Dodecylthiopropanoic acid;3-Dodecylthiopropionic acid;Laurylmercaptopropionic acid;3-(Dodecylthio)propanoic acid;3-dodecylsulfanylpropanoic acid;3-(dodecylsulfanyl)propanoic acid;Propionic acid, 3-(dodecylthio)-;UNII-JO2D9SOE2R;JO2D9SOE2R;EINECS 215-967-6;NSC 408524;NSC-408524;LTPA;3-(Dodecylthio)propanoicacid;3-(Laurylthio)propionic Acid;SCHEMBL624892;C15H30O2S;3-LAURYLTHIOPROPIONIC ACID;DTXSID80883676;BAA46252;MFCD00087155;NSC408524;STK676397;AKOS005594302;3-(DODECYLTHIO)-PROPIONIC ACID;NCGC00332344-01;BS-43882;CS-0313283;D3814;D90230;AB01325580-02;Q27281597

Chemical Property of 3-(Dodecylthio)propionic acid

Chemical Property:

• Vapor Pressure: 1.98E-07mmHg at 25°C
• Melting Point: 59.0 to 63.0 °C
• Boiling Point: 397.5°Cat760mmHg
• Flash Point: 194.2°C
• PSA: 62.60000
• Density: 0.963g/cm³
• LogP: 5.11520
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 274.19665137
• Heavy Atom Count: 18
• Complexity: 183

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(Dodecylthio)propionic Acid >90.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCSCCC(=O)O

Technology Process of 3-(Dodecylthio)propionic acid

There total 11 articles about 3-(Dodecylthio)propionic 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: 71.5%

1-dodecene (112-41-4,25067-08-7,62132-67-6) + 3-mercaptopropionic acid (107-96-0) → 3-(n-dodecylthio)-propanoic acid (1462-52-8)

Guidance literature:

In various solvent(s); Irradiation;

DOI:10.1007/BF02541029

Reference yield: 68.0%

1-dodecylbromide (143-15-7) + 3-mercaptopropionic acid (107-96-0) → 3-(n-dodecylthio)-propanoic acid (1462-52-8)

Guidance literature:

With sodium ethanolate; In ethanol; for 4h; Heating;

DOI:10.1016/S0040-4039(01)00098-3

Reference yield:

acrylonitrile (107-13-1,25014-41-9) + 1-dodecylthiol (112-55-0) → 3-(n-dodecylthio)-propanoic acid (1462-52-8)

Guidance literature:

With sulfuric acid; acetic acid;

DOI:10.1021/ja01195a068

upstream raw materials:

3-dodecylmercapto-propionitrile

ethyl 3-n-dodecylthiopropionate

acrylonitrile

1-dodecylthiol

Downstream raw materials:

3-Dodecylsulfanyl-propionic acid; compound with ammonia

Refernces

• 1、 Shirley,Alsobrook. "-". . p. 2963. Retrieved 1951.
• 2、 Perrey, David A.,Uckun, Fatih M.. "An improved method for cysteine alkylation". . p. 1859 - 1861. Retrieved 2007/10/03.
• 3、 Pisarskii, Yu.B.,Nefedova, T.V.,Boiko, N.M.,Moskvitina, L.T.,Mansurova, L.A.,et al.. "SYNTHESIS AND BIOLOGICAL ACTIVITY OF AMMONIUM ALKYLTHIOPROPIONATES". . p. 713 - 716. Retrieved 2007/10/02.