2-((Ethoxythioxomethyl)thio)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-((Ethoxythioxomethyl)thio)-2-methylpropanoic acid
• CAS No.: 133944-74-8
• Molecular Formula: C7H12O3S2
• Molecular Weight: 208.302
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20692921
• Nikkaji Number: J2.344.320A
• Wikidata: Q72472095
• Mol file: 133944-74-8.mol

Synonyms:133944-74-8;2-((ETHOXYTHIOXOMETHYL)THIO)-2-METHYLPROPANOIC ACID;2-[(ethoxythioxomethyl)thio]-2-methylPropanoic acid;2-((ETHOXYTHIOXO METHYL)THIO)-2-METHYLPROPANOIC ACID;2-ethoxycarbothioylsulfanyl-2-methylpropanoic acid;Propanoic acid, 2-[(ethoxythioxomethyl)thio]-2-methyl-;SCHEMBL13007081;DTXSID20692921;BCP31640;MFCD19689494;RB3045;AKOS015998842;AM62676;DS-14199;CS-0067829;FT-0660362;A851882;2-[(Ethoxythioxomethyl)thio]-2-methylpropionic acid;2-[Ethoxy(thiocarbonyl)thio]-2-methylpropionic acid;2-((ethoxycarbonothioyl)thio)-2-methylpropanoic acid;2-[(Ethoxycarbonothioyl)sulfanyl]-2-methylpropanoic acid;2-((ETHOXYTHIOXOMETHYL)THIO)-2-METHYLPROPANOICACID;2-[(ETHOXYMETHANETHIOYL)SULFANYL]-2-METHYLPROPANOIC ACID;2-((Ethoythioxo methyl)thio)-isobutyric acid;(c) paragraph sign-ethoxythiocarbonylmercapto-isobutyric acid

Chemical Property of 2-((Ethoxythioxomethyl)thio)-2-methylpropanoic acid

Chemical Property:

• Melting Point: 101.5-103 °C(Solv: water (7732-18-5))
• Boiling Point: 320.3±25.0 °C at 760 mmHg
• PKA: 2.90±0.10(Predicted)
• Flash Point: 147.5±23.2 °C
• PSA: 110.63000
• Density: 1.3±0.1 g/cm³
• LogP: 1.75950
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 208.02278659
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

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

2-[(Ethoxythioxomethyl)thio]-2-methylpropanoic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=S)SC(C)(C)C(=O)O

Technology Process of 2-((Ethoxythioxomethyl)thio)-2-methylpropanoic acid

There total 2 articles about 2-((Ethoxythioxomethyl)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:

chloroform (67-66-3,8013-54-5) + sodium O-ethyl dithiocarbonate (140-90-9) + acetone (67-64-1) → α-ethoxythiocarbonylmercapto-isobutyric acid (133944-74-8)

Guidance literature:

chloroform; sodium O-ethyl dithiocarbonate; acetone; With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; at 15 - 25 ℃; for 12h;

With hydrogenchloride; In water;

Reference yield:

2-bromo-2-methylpropionic acid (2052-01-9) + potassium ethyl xanthogenate (140-89-6) → α-ethoxythiocarbonylmercapto-isobutyric acid (133944-74-8)

Guidance literature:

With water;

Reference yield:

α-ethoxythiocarbonylmercapto-isobutyric acid (133944-74-8) → O-ethyl thiocarbamate (625-57-0)

Guidance literature:

With ammonium hydroxide;

upstream raw materials:

2-bromo-2-methylpropionic acid

potassium ethyl xanthogenate

chloroform

sodium O-ethyl dithiocarbonate

Downstream raw materials:

O-ethyl thiocarbamate

2-mercapto-2-methylpropanoic acid

Refernces

• 1、 McIntosh, John M.,Siddiqui, Maqbool A.. "2-Mercaptoaldehyde dimers and 2,5-dihydrothiophenes from 1,3-oxathiolan-5-ones". . p. 1872 - 1875. Retrieved 2007/10/02.