S-(2-Hydroxyethyl) 2,2-dimethylpropanethioate

Base Information

• Chemical Name: S-(2-Hydroxyethyl) 2,2-dimethylpropanethioate
• CAS No.: 153121-88-1
• Molecular Formula: C7H14O2S
• Molecular Weight: 162.253
• DSSTox Substance ID: DTXSID60433698
• Nikkaji Number: J1.171.287H
• Mol file: 153121-88-1.mol

Synonyms:153121-88-1;S-(2-Hydroxyethyl) 2,2-dimethylpropanethioate;s-2-hydroxyethyl 2,2-dimethylpropanethioate;2,2-Dimethylpropanethioic acid S-(2-hydroxyethyl) ester;Propanethioic acid, 2,2-dimethyl-, S-(2-hydroxyethyl) ester;2-(Pivaloylthio)ethanol;2-(s-pivaloylthio)ethanol;SCHEMBL3072338;DTXSID60433698;LIFQCFNVZCHRCI-UHFFFAOYSA-N;BCP31723;AKOS037646786;AB92666;AS-70809;s-2-hydroxyethyl2,2-dimethylpropanethioate;CS-0097019;1-[(2-HYDROXYETHYL)SULFANYL]-2,2-DIMETHYLPROPAN-1-ONE

Chemical Property of S-(2-Hydroxyethyl) 2,2-dimethylpropanethioate

Chemical Property:

• PSA: 62.60000
• LogP: 1.28460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 162.07145086
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

98%min, 95%min ^*data from raw suppliers

S-2-Hydroxyethyl2,2-dimethylpropanethioate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)SCCO

Technology Process of S-(2-Hydroxyethyl) 2,2-dimethylpropanethioate

There total 3 articles about S-(2-Hydroxyethyl) 2,2-dimethylpropanethioate 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: 89.0%

Iodoethanol (624-76-0) + thiopivalic acid (55561-02-9) → S-(2-hydroxyethyl) 2,2-dimethylpropanethioate (153121-88-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; for 3h; Ambient temperature;

DOI:10.1021/jm00020a007

Reference yield: 85.0%

pivaloyl chloride (3282-30-2) + 2-hydroxyethanethiol (60-24-2) → S-(2-hydroxyethyl) 2,2-dimethylpropanethioate (153121-88-1)

Guidance literature:

With triethylamine; In dichloromethane; at -78 - 20 ℃; for 2h;

Reference yield:

pivaloyl chloride (3282-30-2) → S-(2-hydroxyethyl) 2,2-dimethylpropanethioate (153121-88-1)

Guidance literature:

2-hydroxyethanethiol; With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃;

pivaloyl chloride; In tetrahydrofuran; mineral oil; at 0 ℃; for 5h;

upstream raw materials:

Iodoethanol

thiopivalic acid

pivaloyl chloride

2-hydroxyethanethiol

Downstream raw materials:

2,2-dimethylthiopropionic acid S-[(chloro)(phenoxy)phosphoryloxy]ethyl ester

2,2-dimethyl-thiopropionic acid S-(2-{[2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-diisopropylamino-phosphanyloxy}-ethyl) ester

triethylamine hydrochloride

S-pivaloyl-2-thioethyl 4-nitrobenzenesulfonate