Benzenethiol, 3-chloro-4-methoxy-

Base Information

• Chemical Name: Benzenethiol, 3-chloro-4-methoxy-
• CAS No.: 89818-37-1
• Molecular Formula: C7H7ClOS
• Molecular Weight: 174.651
• European Community (EC) Number: 850-449-9
• DSSTox Substance ID: DTXSID50531036
• Wikidata: Q82402583

Synonyms:Benzenethiol, 3-chloro-4-methoxy-;89818-37-1;3-Chloro-4-methoxythiophenol;3-chloro-4-methoxybenzenethiol;3-Chloro-4-methoxybenzene-1-thiol;SCHEMBL2093083;DTXSID50531036;ITMCBTAXLFTDPQ-UHFFFAOYSA-N;CS-0238607;EN300-1981986

Chemical Property of Benzenethiol, 3-chloro-4-methoxy-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.9906137
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)S)Cl

Technology Process of Benzenethiol, 3-chloro-4-methoxy-

There total 7 articles about Benzenethiol, 3-chloro-4-methoxy- 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: 96.0%

3-chloro-4-methoxyphenylisothiocyanate (89818-36-0) → 3-chloro-4-methoxybenzenethiol (89818-37-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Heating;

DOI:10.1002/jhet.5570200651

Reference yield:

4-bromo-2-chloro-1-methoxybenzene (50638-47-6) → 3-chloro-4-methoxybenzenethiol (89818-37-1)

Guidance literature:

4-bromo-2-chloro-1-methoxybenzene; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; triisopropylsilanethiol; In tetrahydrofuran; toluene; at 20 - 100 ℃; for 8h;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield:

di(3-chloro-4-methoxyphenyl)disulfide → 3-chloro-4-methoxybenzenethiol (89818-37-1)

Guidance literature:

With hydrogenchloride; sodium borohydrid; In ethanol;

upstream raw materials:

3-chloro-4-methoxyphenylisothiocyanate

potassium ethyl xanthogenate

2-Chloroanisole

4-bromo-2-chlorophenol

Downstream raw materials:

[2,5-Dichloro-4-(3-chloro-4-methoxy-phenylsulfanylthiocarbonylamino)-phenyl]-dithiocarbamic acid 3-chloro-4-methoxy-phenyl ester

ethyl 4-(3'-chloro-4'-methoxyphenylthio)acetoacetate

p-(4-chloro-5-methoxy-3-benzothienylacetyl)toluene

5-methoxy-6-chloro-3-β-acetamidoethylbenzothiophene

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