Cycloheptanecarboxaldehyde, 1-(phenylthio)-

Base Information

• Chemical Name: Cycloheptanecarboxaldehyde, 1-(phenylthio)-
• CAS No.: 57768-36-2
• Molecular Formula: C14H18OS
• Molecular Weight: 234.35700
• DSSTox Substance ID: DTXSID20474143
• Wikidata: Q82303955

Synonyms:Cycloheptanecarboxaldehyde, 1-(phenylthio)-;57768-36-2;DTXSID20474143

Chemical Property of Cycloheptanecarboxaldehyde, 1-(phenylthio)-

Chemical Property:

• PSA: 42.37000
• LogP: 4.07060
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 234.10783637
• Heavy Atom Count: 16
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(CC1)(C=O)SC2=CC=CC=C2

Technology Process of Cycloheptanecarboxaldehyde, 1-(phenylthio)-

There total 5 articles about Cycloheptanecarboxaldehyde, 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: 85.0%

Acetic acid acetoxy-(1-phenylsulfanyl-cycloheptyl)-methyl ester (139058-75-6) → 1-Phenylsulfanyl-cycloheptanecarbaldehyde (57768-36-2)

Guidance literature:

With methanol; potassium carbonate; at 25 ℃; for 0.166667h;

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

Reference yield:

1-(Bis-phenylsulfanyl-methyl)-cycloheptanol (57768-32-8) → 1-Phenylsulfanyl-cycloheptanecarbaldehyde (57768-36-2)

Guidance literature:

With copper(II) bis(trifluoromethanesulfonate); N-ethyl-N,N-diisopropylamine; In benzene;

DOI:10.1021/ja00849a045

Reference yield:

1-(Methoxy-phenylsulfanyl-methyl)-cycloheptanol (154868-25-4) → 1-Phenylsulfanyl-cycloheptanecarbaldehyde (57768-36-2)

Guidance literature:

With thionyl chloride; triethylamine;

DOI:10.1016/S0040-4039(00)61701-X

upstream raw materials:

Acetic acid acetoxy-(1-phenylsulfanyl-cycloheptyl)-methyl ester

1-(Methoxy-phenylsulfanyl-methyl)-cycloheptanol

1-(Bis-phenylsulfanyl-methyl)-cycloheptanol

methoxymethyl phenyl sulfide

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