4-(Ethylthio)benzaldehyde

Base Information

• Chemical Name: 4-(Ethylthio)benzaldehyde
• CAS No.: 84211-94-9
• Molecular Formula: C9H10 O S
• Molecular Weight: 166.244
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10426515
• Wikidata: Q82239408
• Mol file: 84211-94-9.mol

Synonyms:4-(Ethylthio)benzaldehyde;84211-94-9;4-ethylsulfanylbenzaldehyde;4-(Ethylsulfanyl)Benzaldehyde;MFCD01318145;4-ethylsulfanyl-benzaldehyde;SCHEMBL710758;DTXSID10426515;LPRKZLUVZOFDDT-UHFFFAOYSA-N;STL301883;AKOS009157410;AS-60368;FT-0616772

Chemical Property of 4-(Ethylthio)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.00353mmHg at 25°C
• Refractive Index: 1.6240
• Boiling Point: 151-153°C 15mm
• Flash Point: 151-153°C/15mm
• PSA: 42.37000
• Density: 1.1g/cm³
• LogP: 2.61110
• Sensitive.: Air Sensitive
• Water Solubility.: Difficult to mix in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.04523611
• Heavy Atom Count: 11
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

4-(Ethylthio)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=CC=C(C=C1)C=O

Technology Process of 4-(Ethylthio)benzaldehyde

There total 6 articles about 4-(Ethylthio)benzaldehyde 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%

4-fluorobenzaldehyde (459-57-4) + ethanethiol (75-08-1) → 4-(ethylthio)benzaldehyde (84211-94-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 200 ℃; for 16h;

DOI:10.1016/j.ejmech.2017.02.049

Reference yield: 67.0%

4-chlorobenzaldehyde (104-88-1) + ethanethiol (75-08-1) → 4-(ethylthio)benzaldehyde (84211-94-9)

Guidance literature:

With potassium hydroxide; In ethanol; for 3h; Heating;

Reference yield:

N,N-dimethyl-formamide (68-12-2,33513-42-7) + ethyl 4-iodophenyl sulphide Grignard reagent → 4-(ethylthio)benzaldehyde (84211-94-9)

Guidance literature:

In tetrahydrofuran; at 50 ℃; for 2h;

DOI:10.1039/c39830000585

upstream raw materials:

N,N-dimethyl-formamide

4-chlorobenzaldehyde

ethanethiol

ethyl N-phenylformimidate

Downstream raw materials:

4-(ethanesulfonyl)benzaldehyde

4-(ethylsulfonyl)benzoic acid

N-(4-ethylsulfanyl-benzylidene)-4-phenylazo-aniline

ethyl p-<(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)propenyl>phenylsulfide