3-Dodecylthio-1,2-propanediol

Base Information

• Chemical Name: 3-Dodecylthio-1,2-propanediol
• CAS No.: 18023-86-4
• Deprecated CAS: 126835-76-5
• Molecular Formula: C15H32 O2 S
• Molecular Weight: 276.484
• Hs Code.: 2930909090
• European Community (EC) Number: 241-934-0
• NSC Number: 508906
• DSSTox Substance ID: DTXSID10884792
• Nikkaji Number: J260.835I
• Mol file: 18023-86-4.mol

Synonyms:3-Dodecylthio-1,2-propanediol;3-Dodecylthiopropane-1,2-diol;18023-86-4;3-dodecylsulfanylpropane-1,2-diol;1,2-Propanediol, 3-(dodecylthio)-;Glycerol 1-dodecylthio ether;2,3-Dihydroxypropyl dodecyl sulfide;EINECS 241-934-0;NSC 508906;NSC508906;1, 3-(dodecylthio)-;C(CCCCCCCCCCC)SCC(O)CO;SCHEMBL4786158;SCHEMBL4786370;3-dodecylthio-propane-1,2-diol;C15H32O2S;DTXSID10884792;1-n-Dodecylthio-2,3-propanediol;3-(Dodecylthio)-1,2-propanediol;C15-H32-O2-S;AKOS018239279;NSC-508906

Chemical Property of 3-Dodecylthio-1,2-propanediol

Chemical Property:

• Vapor Pressure: 1.62E-08mmHg at 25°C
• Boiling Point: 412.2°C at 760 mmHg
• Flash Point: 200.2°C
• PSA: 65.76000
• Density: 0.968g/cm³
• LogP: 3.99370
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 276.21230143
• Heavy Atom Count: 18
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCSCC(CO)O

Technology Process of 3-Dodecylthio-1,2-propanediol

There total 7 articles about 3-Dodecylthio-1,2-propanediol 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: 93.0%

1-bromo-2,3-propanediol (4704-77-2) + 1-dodecylthiol (112-55-0) → 1-n-dodecylthio-2,3-propanediol (18023-86-4)

Guidance literature:

With potassium hydroxide; In methanol; ethanol;

Reference yield: 81.0%

rac-3-sulfanylpropane-1,2-diol (96-27-5) + 1-dodecylbromide (143-15-7) → 1-n-dodecylthio-2,3-propanediol (18023-86-4)

Guidance literature:

rac-3-sulfanylpropane-1,2-diol; With potassium hydroxide; In ethanol; at 20 ℃; for 0.5h;

1-dodecylbromide; In ethanol; at 20 ℃; for 48h;

DOI:10.1039/d1ob00021g

Reference yield:

3-monochloro-1,2-propanediol (96-24-2) + 1-dodecylthiol (112-55-0) → 1-n-dodecylthio-2,3-propanediol (18023-86-4)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

3-monochloro-1,2-propanediol

1-dodecylthiol

rac-3-sulfanylpropane-1,2-diol

1-dodecylbromide

Downstream raw materials:

2-Dodecylsulfanylmethyl-1,4,7,10,13-pentaoxa-cyclopentadecane

1-S-dodecyl-3-O-trityl-rac-1-thioglycerol

(N-benzoyl-2'-deoxy-2',2'-difluoro-3-acetyl-5'-monophosphate-1-dodecylthio-2-decyloxypropyl)cytidine

N-benzoyl-1-(2',3'-di-O-acetyl-β-D-arabinofuranosyl-5'-monophosphate-1-dodecylthio-2-decyloxypropyl)cytidine