2,2-Dimethylpropanethiol

Base Information

• Chemical Name: 2,2-Dimethylpropanethiol
• CAS No.: 1679-08-9
• Molecular Formula: C5H12 S
• Molecular Weight: 104.216
• European Community (EC) Number: 216-842-9
• UNII: BH457E77GG
• DSSTox Substance ID: DTXSID90168426
• Nikkaji Number: J100.767J
• Wikidata: Q83038031
• Mol file: 1679-08-9.mol

Synonyms:2,2-dimethylpropane-1-thiol;2,2-Dimethylpropanethiol;Neopentyl mercaptan;1679-08-9;1-PROPANETHIOL, 2,2-DIMETHYL-;2,2-Dimethyl-1-propanethiol;1-Propanethiol,2,2-dimethyl-;BH457E77GG;2,2-Dimethyl-propane-1-thiol;EINECS 216-842-9;UNII-BH457E77GG;SCHEMBL23363;DTXSID90168426;AKOS017574343;EN300-198544

Chemical Property of 2,2-Dimethylpropanethiol

Chemical Property:

• Vapor Pressure: 49.4mmHg at 25°C
• Boiling Point: 96.6°Cat760mmHg
• Flash Point: 5°C
• Density: 0.832g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 104.06597156
• Heavy Atom Count: 6
• Complexity: 33.7

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Thiols
• Canonical SMILES: CC(C)(C)CS

Technology Process of 2,2-Dimethylpropanethiol

There total 10 articles about 2,2-Dimethylpropanethiol 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: 86.0%

2,2-dimethylpropylmagnesium chloride (13132-23-5) + sulfur (7704-34-9) → 2,2-dimethylpropylthiol (1679-08-9)

Guidance literature:

In diethyl ether; at 0 - 20 ℃; for 2h;

Reference yield: 85.0%

neopentyl tosylate (2346-07-8) → 2,2-dimethylpropylthiol (1679-08-9)

Guidance literature:

With sodium hydrogensulfide; In 2-methoxy-ethanol; at 130 ℃; for 2.5h;

DOI:10.1002/anie.201901506

Reference yield: 40.0%

2,2-dimethylpropylmagnesium chloride (13132-23-5) → 2,2-dimethylpropylthiol (1679-08-9)

Guidance literature:

With 1.) S, 2.) acid; In diethyl ether;

DOI:10.1021/ja00344a061

upstream raw materials:

neopentyl tosylate

2,2-dimethylpropane

2,2-dimethyl-propanol-1

neopentyl chloride

Downstream raw materials:

neopentyl methyl sulfide

Neopentyl-(4-nitrophenyl)-sulfon

Neopentyl-(2-nitrophenyl)-sulfid

1-(2,2-dimethylpropylsulfanyl)-4-nitrobenzene

Refernces

• 1、 Tuten, Bryan T.,De Keer, Lies,Wiedbrauk, Sandra,Van Steenberge, Paul H. M.,D'hooge, Dagmar R.,Barner-Kowollik, Christopher. "Visible-Light-Induced Passerini Multicomponent Polymerization". . p. 5672 - 5676. Retrieved 2019.
• 2、 -. "6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS". Page/Page column 124. . Retrieved 2010/11/26.