Cyclohexanecarboxaldehyde, 1-(phenylthio)-

Base Information

• Chemical Name: Cyclohexanecarboxaldehyde, 1-(phenylthio)-
• CAS No.: 57768-35-1
• Molecular Formula: C13H16OS
• Molecular Weight: 220.335
• DSSTox Substance ID: DTXSID90481748
• Nikkaji Number: J677.970K
• Mol file: 57768-35-1.mol

Synonyms:Cyclohexanecarboxaldehyde, 1-(phenylthio)-;57768-35-1;DTXSID90481748

Chemical Property of Cyclohexanecarboxaldehyde, 1-(phenylthio)-

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 220.09218630
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)(C=O)SC2=CC=CC=C2

Technology Process of Cyclohexanecarboxaldehyde, 1-(phenylthio)-

There total 8 articles about Cyclohexanecarboxaldehyde, 1-(phenylthio)- 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: 98.0%

(trimethylsiloxymethylidene)cyclohexane (53282-55-6) + benzenesulfenyl chloride (931-59-9) → 1-(phenylthio)-1-cyclohexanecarboxaldehyde (57768-35-1)

Guidance literature:

In dichloromethane; -78 deg C -> rt;

Reference yield: 94.0%

1--1-cyclohexanol (75456-59-6) → 1-(phenylthio)-1-cyclohexanecarboxaldehyde (57768-35-1)

Guidance literature:

With pyridine; thionyl chloride; at 0 ℃; for 0.5h;

Reference yield: 85.0%

1-(diacetoxymethyl)-1-(phenylsulfenyl)cyclohexane (139058-74-5) → 1-(phenylthio)-1-cyclohexanecarboxaldehyde (57768-35-1)

Guidance literature:

With methanol; potassium carbonate; at 25 ℃; for 0.333333h;

DOI:10.1016/0040-4039(91)80458-I

upstream raw materials:

diphenyldisulfane

cyclohexanecarbaldehyde

2-benzenesulfinyl-1-oxa-spiro[2.5]octane

sodium thiophenolate

Downstream raw materials:

3-[Hydroxy-(1-phenylsulfanyl-cyclohexyl)-methyl]-dihydro-furan-2-one

(2RS,3SR)-methyl 3-hydroxy-2-methyl-3-<1-(phenylthio)cyclohexyl>propionate

(2R,3R)-3-Hydroxy-2-methyl-3-(1-phenylsulfanyl-cyclohexyl)-propionic acid methyl ester

3-Hydroxy-2-hydroxymethyl-3-(1-phenylsulfanyl-cyclohexyl)-propionic acid ethyl ester