3-Methoxythioanisole

Base Information

• Chemical Name: 3-Methoxythioanisole
• CAS No.: 2388-74-1
• Molecular Formula: C8H10OS
• Molecular Weight: 154.233
• Hs Code.: 2930909090
• European Community (EC) Number: 673-603-5
• NSC Number: 133794
• UNII: 42GZ952C3G
• DSSTox Substance ID: DTXSID60299933
• Nikkaji Number: J100.176K
• Wikidata: Q72486194
• Mol file: 2388-74-1.mol

Synonyms:3-Methoxythioanisole;2388-74-1;3-methoxy thioanisole;1-methoxy-3-methylsulfanylbenzene;Benzene, 1-methoxy-3-(methylthio)-;1-methoxy-3-methylsulfanyl-benzene;Anisole, m-(methylthio)-;1-Methoxy-3-methylthiobenzene;1-Methoxy-3-(methylsulfanyl)benzene;1-methoxy-3-(methylthio)benzene;(3-methoxyphenyl)(methyl)sulfane;42GZ952C3G;NSC-133794;3-(Methylthio)anisole;NSC133794;O(C)c1cccc(SC)c1;Methyl m-methoxyphenyl sulfide;UNII-42GZ952C3G;3-methoxyphenyl methyl sulfide;SCHEMBL1145531;3-Methoxythiophenol, S-methyl-;1-methylsulfanyl-3-methoxybenzene;DTXSID60299933;Methyl (3-methoxyphenyl) sulfide;BCP17523;CAA38874;MFCD03789162;AKOS006228434;1-Methoxy-3-(methylsulfanyl)benzene #;NSC 133794;CS-0142490;FT-0615960;M1880;D91547;EN300-1587895;A816964;J-512808;TITANIUM(IV)BIS(ETHYLACETOACETATO)DIISOPROPOXIDE

Chemical Property of 3-Methoxythioanisole

Chemical Property:

• Refractive Index: 1.549
• Boiling Point: 230.2 °C at 760 mmHg
• Flash Point: 93 °C
• PSA: 34.53000
• Density: 1.08 g/cm³
• LogP: 2.41710
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.04523611
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

97% ^*data from raw suppliers

3-Methoxythioanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC=C1)SC

Technology Process of 3-Methoxythioanisole

There total 18 articles about 3-Methoxythioanisole 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: 100.0%

3-methoxybenzenethiol (15570-12-4) + methyl iodide (74-88-4) → 1-methoxy-3-methylsulfanyl-benzene (2388-74-1)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1002/chem.201403668

Reference yield: 90.0%

1-methanesulfinyl-3-methoxy-benzene (274928-75-5) → 1-methoxy-3-methylsulfanyl-benzene (2388-74-1)

Guidance literature:

With boron trifluoride diethyl etherate; sodium iodide; In acetonitrile; for 1h;

DOI:10.1016/S0040-4039(00)98145-0

Reference yield: 89.0%

3-methoxyphenyl bromide (2398-37-0) + carbonic acid dimethyl ester (616-38-6) → 1-methoxy-3-methylsulfanyl-benzene (2388-74-1)

Guidance literature:

With Sodium thiosulfate pentahydrate; potassium tert-butylate; tetrabutylammomium bromide; palladium diacetate; tri tert-butylphosphoniumtetrafluoroborate; In dimethyl sulfoxide; at 120 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.8b02677

upstream raw materials:

Dimethyldisulphide

(3-methoxyphenyl)magnesium bromide

3-methoxybenzenethiol

dimethyl sulfate

Downstream raw materials:

(2,4-dinitro-phenyl)-(4-methoxy-2-methylsulfanyl-phenyl)-diazene

3-methylsulfanylphenol

1-methanesulfinyl-3-methoxy-benzene

[(3-methoxyphenyl)sulfanyl]acetic acid