1,3-Bis(methylthio)-2-methoxypropane

Base Information

• Chemical Name: 1,3-Bis(methylthio)-2-methoxypropane
• CAS No.: 31805-84-2
• Molecular Formula: C6H14 O S2
• Molecular Weight: 166.309
• Hs Code.: 2930909090
• European Community (EC) Number: 250-815-2
• DSSTox Substance ID: DTXSID60185685
• Nikkaji Number: J278.192A
• Wikidata: Q83056761
• Mol file: 31805-84-2.mol

Synonyms:31805-84-2;1,3-Bis(methylthio)-2-methoxypropane;2-Methoxy-1,3-bis(methylsulfanyl)propane;2-Methoxy-1,3-bis(methylthio)propane;1,3-Bis-(methylthio)-2-methoxypropane;EINECS 250-815-2;Propane, 2-methoxy-1,3-bis(methylthio)-;SCHEMBL8674550;MOISORXUYSHXRU-UHFFFAOYSA-;DTXSID60185685;MFCD00026040;AKOS015852499;2-methoxy-1,3-bis(methylsulfanyl)-propane;2-Methoxy-1,3-bis(methylsulfanyl)propane #;B1709;FT-0606577;(2-methoxypropane-1,3-diyl)bis(methylsulfane);T70761;A821008

Chemical Property of 1,3-Bis(methylthio)-2-methoxypropane

Chemical Property:

• Refractive Index: 1.5080-1.5100
• Boiling Point: 242.5°Cat760mmHg
• Flash Point: 100.5°C
• PSA: 59.83000
• Density: 1.024g/cm³
• LogP: 1.72740
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 166.04860741
• Heavy Atom Count: 9
• Complexity: 53

Purity/Quality:

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

1,3-bis(Methylthio)-2-methoxypropane ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(CSC)CSC
• Uses: 1,3-bis(Methylthio)-2-methoxypropane is a useful chemical in organic synthesis.

Technology Process of 1,3-Bis(methylthio)-2-methoxypropane

There total 3 articles about 1,3-Bis(methylthio)-2-methoxypropane 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: 66.0%

1,3-bis(methylthio)propan-2-ol (31805-83-1) + methyl iodide (74-88-4) → 1,3-bis(methylthio)-2-methoxypropane (31805-84-2)

Guidance literature:

1,3-bis(methylthio)propan-2-ol; With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 0.333333h; Inert atmosphere; Schlenk technique;

methyl iodide; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.inorgchem.9b01669

Reference yield: 47.0%

poly(2-hydroxypropylenedisulfide) + methyl iodide (74-88-4) → 1,3-bis(methylthio)propan-2-ol (31805-83-1) + 1,3-bis(methylthio)-2-methoxypropane (31805-84-2)

Guidance literature:

poly(2-hydroxypropylenedisulfide); With sodium hydroxide; hydrazine hydrate; In water; at 75 ℃; for 2h;

methyl iodide; In water; at 40 ℃;

Reference yield:

→ 1,3-bis(methylthio)-2-methoxypropane (31805-84-2)

Guidance literature:

1,3-Bis-(methylthio)-2-propanol, NaH, CH3I;

upstream raw materials:

1,3-bis(methylthio)propan-2-ol

methyl iodide

Downstream raw materials:

2-(E)-(1-buta-1,3-dienyl)-1-(E)-(3-prop-2-en-1-al)cyclohexanol

1-(1,3-bis(methylthio)prop-2-enyl)-2-(1-buta-1,3-dienyl)cyclohexanol

trans-4-hydroxy-2-hexenal

trans-3-(trans-2-acetoxycyclohexyl)-2-propenal

Refernces

• 1、 Alekminskaya,Russavskaya,Korchevin,Deryagina,Trofimov. "Reduction of thiokols in the system hydrazine hydrate-base as a new route to alkanedithiols". . p. 732 - 737. Retrieved 2007/10/03.