2-[(4-Chlorophenyl)Sulfanyl]-2-Methylpropanal

Base Information

• Chemical Name: 2-[(4-Chlorophenyl)Sulfanyl]-2-Methylpropanal
• CAS No.: 56421-90-0
• Molecular Formula: C10H11 Cl O S
• Molecular Weight: 214.71
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50377673
• Wikidata: Q82166984
• Mol file: 56421-90-0.mol

Synonyms:56421-90-0;2-[(4-Chlorophenyl)Sulfanyl]-2-Methylpropanal;2-((4-Chlorophenyl)thio)-2-methylpropanal;2-(4-chlorophenyl)sulfanyl-2-methylpropanal;2-[(4-Chlorophenyl)thio]-2-methylpropanal;DTXSID50377673;MFCD00243426;AKOS005069530;FT-0680068;12K-035;J-505238

Chemical Property of 2-[(4-Chlorophenyl)Sulfanyl]-2-Methylpropanal

Chemical Property:

• Vapor Pressure: 0.0028mmHg at 25°C
• Boiling Point: 285.4°Cat760mmHg
• Flash Point: 126.4°C
• PSA: 42.37000
• Density: 1.2g/cm³
• LogP: 3.40960
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.0219138
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

2-[(4-chlorophenyl)sulfanyl]-2-methylpropanal ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C=O)SC1=CC=C(C=C1)Cl

Technology Process of 2-[(4-Chlorophenyl)Sulfanyl]-2-Methylpropanal

There total 2 articles about 2-[(4-Chlorophenyl)Sulfanyl]-2-Methylpropanal 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: 90.0%

2-methyl-1-(trimethylsilyloxy)-1-propene (6651-34-9) + 4-chloro-benzenesulfenyl chloride (933-01-7) → 2-(4-chlorophenylthio)-2-methylpropanal (56421-90-0)

Guidance literature:

In dichloromethane; at 40 ℃; for 1h;

Reference yield:

cis-N.N-Dimethyl-N-<(1.1-dimethyl-2-(p-chlorphenyl)-thio)-cyclopropyl>-amin (36603-35-7,37608-38-1,37608-39-2,60916-84-9,60916-85-0) → 2-(4-chlorophenylthio)-2-methylpropanal (56421-90-0)

Guidance literature:

With oxygen; rose bengal; In methanol; Irradiation;

DOI:10.1021/jo00909a014

upstream raw materials:

cis-N.N-Dimethyl-N-<(1.1-dimethyl-2-(p-chlorphenyl)-thio)-cyclopropyl>-amin

2-methyl-1-(trimethylsilyloxy)-1-propene

4-chloro-benzenesulfenyl chloride