2-(((Dodecylthio)carbonothioyl)thio)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-(((Dodecylthio)carbonothioyl)thio)-2-methylpropanoic acid
• CAS No.: 461642-78-4
• Deprecated CAS: 1605346-99-3
• Molecular Formula: C17H32O2S3
• Molecular Weight: 364.638
• European Community (EC) Number: 663-505-0
• DSSTox Substance ID: DTXSID50467083
• Nikkaji Number: J1.795.172F
• Wikidata: Q72470441
• Mol file: 461642-78-4.mol

Synonyms:2-(((dodecylsulfanyl)carbonothioyl)sulfanyl)-2-methylpropanoic acid;2-(dodecylthiocarbonothioylthio)-2-methylpropionic acid;2-DCS-MPA cpd

Chemical Property of 2-(((Dodecylthio)carbonothioyl)thio)-2-methylpropanoic acid

Chemical Property:

• Appearance/Colour: pale yellow solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 62-64℃ (hexane )
• Boiling Point: 505.984°C at 760 mmHg
• PKA: 2.89±0.10(Predicted)
• Flash Point: 259.81°C
• PSA: 119.99000
• Density: 1.083g/cm³
• LogP: 6.52180
• Storage Temp.: 2-8°C
• Sensitive.: light sensitive, store cold
• XLogP3: 8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 15
• Exact Mass: 364.15644378
• Heavy Atom Count: 22
• Complexity: 317

Purity/Quality:

97% ^*data from raw suppliers

2-(Dodecylthiocarbonothioylthio)-2-methylpropionic Acid >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCSC(=S)SC(C)(C)C(=O)O
• Uses: A sulfur-based, chain-transfer agent providing a high degree of control for living radical polymerizations utilizing the RAFT (reversible addition-fragmentation chain-transfer polymerization) technique. Reversible Addition Fragmentation Chain Transfer (RAFT) Polymerization

Technology Process of 2-(((Dodecylthio)carbonothioyl)thio)-2-methylpropanoic acid

There total 8 articles about 2-(((Dodecylthio)carbonothioyl)thio)-2-methylpropanoic 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: 85.0%

carbon disulfide (75-15-0,12122-00-8) + chloroform (67-66-3,8013-54-5) + acetone (67-64-1) + 1-dodecylthiol (112-55-0) → 2-dodecylsulfanylthiocarbonylsulfanyl-2-methyl-propionic acid (461642-78-4)

Guidance literature:

carbon disulfide; acetone; 1-dodecylthiol; With sodium hydroxide; Aliquat 336; trimethyloctadecylammonium chloride; In water; for 0.333333h;

chloroform; With sodium hydroxide; In water; at 15 - 20 ℃;

With hydrogenchloride; In water;

Reference yield: 65.0%

carbon disulfide (75-15-0,12122-00-8) + 2-bromo-2-methylpropionic acid (2052-01-9) + 1-dodecylthiol (112-55-0) → 2-dodecylsulfanylthiocarbonylsulfanyl-2-methyl-propionic acid (461642-78-4)

Guidance literature:

carbon disulfide; 1-dodecylthiol; With potassium phosphate; In acetone; for 0.666667h;

2-bromo-2-methylpropionic acid; In acetone; at 20 ℃;

DOI:10.1039/C8CC03749C

Reference yield: 63.5%

carbon disulfide (75-15-0,12122-00-8) + chloroform (67-66-3,8013-54-5) + 1-dodecylthiol (112-55-0) → 2-dodecylsulfanylthiocarbonylsulfanyl-2-methyl-propionic acid (461642-78-4)

Guidance literature:

1-dodecylthiol; With tetramethlyammonium chloride; acetone; sodium hydroxide; at 10 ℃; for 0.583333h; Inert atmosphere;

carbon disulfide; In acetone; for 0.5h; Inert atmosphere;

chloroform; With sodium hydroxide; In acetone; Inert atmosphere;

DOI:10.1021/ma501997x

upstream raw materials:

carbon disulfide

chloroform

acetone

1-dodecylthiol

Downstream raw materials:

S-dodecyl-S'-(α,α-dimethylpentafluorophenyl acetate)trithiocarbonate

C₃₁H₄₈O₇S₃

C₃₅H₄₅O₂PS₃

2-(dodecylthiocarbonothioylthio)-2-methylpropanoic acid 2-phenoxyethyl ester

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