Cyclohexylsulfanyl-acetic acid

Base Information

• Chemical Name: Cyclohexylsulfanyl-acetic acid
• CAS No.: 52363-15-2
• Molecular Formula: C₈H₁₄O₂S
• Molecular Weight: 174.264
• DSSTox Substance ID: DTXSID201031509

Synonyms:cyclohexylsulfanyl-acetic acid;52363-15-2;Acetic acid, 2-(cyclohexylthio)-;2-(cyclohexylthio)acetic acid;2-cyclohexylsulfanylacetic acid;SCHEMBL1200818;FBBVJXMXGVHARA-UHFFFAOYSA-N;DTXSID201031509;AKOS008965219

Chemical Property of Cyclohexylsulfanyl-acetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 174.07145086
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)SCC(=O)O

Technology Process of Cyclohexylsulfanyl-acetic acid

There total 17 articles about Cyclohexylsulfanyl-acetic acid 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: 70.0%

1-oxa-4-thiaspiro-<4,5>decan-2-one (1564-39-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → Cyclohexanethiol (1569-69-3) + 1,2-dicyclohexyl disulfide (2550-40-5) + cyclohexyl phenyl sulphide (7570-92-5) + 2-cyclohexylthioacetic acid (52363-15-2) + spiro-4'-one (141622-49-3) + <<1-(phenyl)-cyclohexyl>thio>acetic acid (141622-63-1)

Guidance literature:

With aluminium trichloride; for 24h; Product distribution; Mechanism; Ambient temperature; other arenes;

Reference yield: 15.0%

1-oxa-4-thiaspiro-<4,5>decan-2-one (1564-39-2) + chlorobenzene (108-90-7) → (4-chlorophenyl)(cyclohexyl)sulfane (59693-95-7) + 2-cyclohexylthioacetic acid (52363-15-2) + 6'-chlorospiro-4'-one (141622-53-9) + <<1-(4-chlorophenyl)cyclohexyl>thio>acetic acid (141622-67-5)

Guidance literature:

With aluminium trichloride; for 24h; Further byproducts given; Ambient temperature;

Reference yield: 10.0%

bromobenzene (108-86-1,52753-63-6) + 1-oxa-4-thiaspiro-<4,5>decan-2-one (1564-39-2) → (4-bromophenyl)(cyclohexyl)sulfane (91766-77-7) + 2-cyclohexylthioacetic acid (52363-15-2) + 6'-bromospiro-4'-one (141622-52-8) + <<1-(4-bromophenyl)cyclohexyl>thio>acetic acid (141622-66-4)

Guidance literature:

With aluminium trichloride; for 24h; Further byproducts given; Ambient temperature;

upstream raw materials:

Cyclohexanethiol

1-methyl-4-nitrosobenzene

mercaptoacetic acid

cyclohexene

Downstream raw materials:

2-(cyclohexylthio)ethanol

cyclohexanesulfonyl-acetic acid

bis-carboxymethyl-cyclohexyl sulfonium-betaine

cyclohexanesulfinyl-acetic acid

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