Benzene, [(methoxyphenylmethyl)thio]-

Base Information

• Chemical Name: Benzene, [(methoxyphenylmethyl)thio]-
• CAS No.: 13865-07-1
• Molecular Formula: C14H14OS
• Molecular Weight: 230.331
• DSSTox Substance ID: DTXSID80471759
• Nikkaji Number: J684.426J
• Mol file: 13865-07-1.mol

Synonyms:Benzene, [(methoxyphenylmethyl)thio]-;13865-07-1;DTXSID80471759;(methoxy-phenylsulfanylmethyl)benzene;[methoxy(phenylsulfanyl)methyl]benzene

Chemical Property of Benzene, [(methoxyphenylmethyl)thio]-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 230.07653624
• Heavy Atom Count: 16
• Complexity: 183

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(C1=CC=CC=C1)SC2=CC=CC=C2

Technology Process of Benzene, [(methoxyphenylmethyl)thio]-

There total 7 articles about Benzene, [(methoxyphenylmethyl)thio]- 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%

benzaldehyde dimethyl acetal (1125-88-8) + tributyltin phenyl sulfide (17314-33-9) → (methoxy(phenylthio)methyl)benzene (13865-07-1)

Guidance literature:

With boron trifluoride diethyl etherate; In hexane; toluene; addn. of BF3*OEt2 in toluene to the acetal in toluene at -78°C and stirring for 1 h; GLC analysis;

DOI:10.1246/cl.1987.1661

Reference yield: 90.0%

benzaldehyde dimethyl acetal (1125-88-8) + thiophenol (108-98-5) → bis(phenylthio)methylbenzene (7695-69-4) + (methoxy(phenylthio)methyl)benzene (13865-07-1)

Guidance literature:

With lithium bromide; In water; toluene; at 25 ℃; for 25h;

DOI:10.1055/s-2001-17477

Reference yield: 90.0%

phenylthiotrimethylsilane (4551-15-9) + benzaldehyde dimethyl acetal (1125-88-8) → (methoxy(phenylthio)methyl)benzene (13865-07-1)

Guidance literature:

2-(1,3-dioxolan-2-ylidene)malononitrile; In N,N-dimethyl-formamide; for 42h; Ambient temperature;

DOI:10.1016/0040-4039(94)80022-7

upstream raw materials:

methanol

Benzyl phenyl sulfide

benzaldehyde dimethyl acetal

tributyltin phenyl sulfide

Downstream raw materials:

4-methoxy-4-phenyl-1-butene

phenyl 1-phenyl-3-butenyl sulfide

(1-Methoxy-2-methyl-but-3-enyl)-benzene

C₁₇H₁₈S