{[(2,2-Diethoxyethyl)sulfanyl]methyl}benzene

Base Information

• Chemical Name: {[(2,2-Diethoxyethyl)sulfanyl]methyl}benzene
• CAS No.: 91905-68-9
• Molecular Formula: C13H20O2S
• Molecular Weight: 240.367
• NSC Number: 115884
• DSSTox Substance ID: DTXSID60297414
• Wikidata: Q82038494
• Mol file: 91905-68-9.mol

Synonyms:91905-68-9;{[(2,2-diethoxyethyl)sulfanyl]methyl}benzene;NSC115884;DTXSID60297414;AKOS012940490;NSC-115884

Chemical Property of {[(2,2-Diethoxyethyl)sulfanyl]methyl}benzene

Chemical Property:

• Vapor Pressure: 0.000554mmHg at 25°C
• Boiling Point: 321.6°Cat760mmHg
• Flash Point: 148.3°C
• Density: 1.036g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 240.11840105
• Heavy Atom Count: 16
• Complexity: 152

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CSCC1=CC=CC=C1)OCC

Technology Process of {[(2,2-Diethoxyethyl)sulfanyl]methyl}benzene

There total 2 articles about {[(2,2-Diethoxyethyl)sulfanyl]methyl}benzene 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: 99.0%

phenylmethanethiol (100-53-8) + Bromoacetaldehyde diethyl acetal (2032-35-1) → [(2,2-diethoxyethyl)sulfanylmethyl]benzene (91905-68-9)

Guidance literature:

phenylmethanethiol; With n-butyllithium; In tetrahydrofuran; at 0 ℃; for 1h;

Bromoacetaldehyde diethyl acetal; In tetrahydrofuran; for 4h; Heating;

DOI:10.1002/ejoc.200300249

Reference yield:

chloroacetaldehyde diethyl acetal (621-62-5) → [(2,2-diethoxyethyl)sulfanylmethyl]benzene (91905-68-9)

Guidance literature:

With ethanol;

Reference yield:

chloraminophenamide (121-30-2) + [(2,2-diethoxyethyl)sulfanylmethyl]benzene (91905-68-9) → benzthiazide (13957-38-5)

Guidance literature:

With hydrogenchloride; In diethylene glycol dimethyl ether; Heating;

upstream raw materials:

phenylmethanethiol

Bromoacetaldehyde diethyl acetal

chloroacetaldehyde diethyl acetal

Downstream raw materials:

benzthiazide

(2S)-(-)-[2-(benzylsulfanyl)ethylidene][2-(methoxymethyl)pyrrolidin-1-yl]amine

methyl (2S,1R)-(+)-(2-benzylsulfanyl-1-methyl-3-phenylpropyl)carbamate

(2S,2S)-(2-benzylsulfanyl-3-methylbutylidene)[2-(methoxymethyl)pyrrolidin-1-yl]amine