4-(Butylsulfanyl)benzaldehyde

Base Information

• Chemical Name: 4-(Butylsulfanyl)benzaldehyde
• CAS No.: 53606-10-3
• Molecular Formula: C11H14OS
• Molecular Weight: 194.298
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60604220
• Nikkaji Number: J308.208C
• Wikidata: Q82502033
• Mol file: 53606-10-3.mol

Synonyms:53606-10-3;4-(Butylsulfanyl)benzaldehyde;4-(Butylthio)benzaldehyde;4-(n-Butylthio)benzaldehyde;4-butylsulfanylbenzaldehyde;SCHEMBL3405047;DTXSID60604220;LXZKEVYVNGPNPK-UHFFFAOYSA-N;AKOS013115220

Chemical Property of 4-(Butylsulfanyl)benzaldehyde

Chemical Property:

• Boiling Point: 170-172 °C(Press: 15 Torr)
• PSA: 42.37000
• Density: 1.06±0.1 g/cm3(Predicted)
• LogP: 3.39130
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 194.07653624
• Heavy Atom Count: 13
• Complexity: 139

Purity/Quality:

4-(BUTYLSULFANYL)BENZALDEHYDE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSC1=CC=C(C=C1)C=O

Technology Process of 4-(Butylsulfanyl)benzaldehyde

There total 4 articles about 4-(Butylsulfanyl)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: 86.0%

n-Butyl chloride (109-69-3) + p-(iodophenyl)carboxaldehyde (15164-44-0) → p-(n-butylmercapto)-benzaldehyde (53606-10-3)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; Sodium thiosulfate pentahydrate; caesium carbonate; In ethylene glycol; dimethyl sulfoxide; at 120 ℃; Schlenk technique; Inert atmosphere; Green chemistry;

DOI:10.1021/ol500112y

Reference yield:

dibutyl disulfide (629-45-8) + 4-bromo-benzaldehyde (1122-91-4) → p-(n-butylmercapto)-benzaldehyde (53606-10-3)

Guidance literature:

With 2,6-bis-{[(E)-2,3,4-trifluoro-phenylimino]-methyl}-pyridine; zinc; nickel dichloride; In N,N-dimethyl-formamide; at 160 ℃; for 24h;

DOI:10.1002/adsc.200505207

Reference yield:

n-butanethiol (109-79-5) + 4-nitrobenzaldehdye (555-16-8) → p-(n-butylmercapto)-benzaldehyde (53606-10-3)

Guidance literature:

With potassium carbonate; In N-methyl-acetamide;

upstream raw materials:

dibutyl disulfide

4-bromo-benzaldehyde

n-butanethiol

4-nitrobenzaldehdye

Downstream raw materials:

3-<1-(4-Butylsulfinylphenyl)-3-oxo-butyl>-4-hydroxy-2H-1-benzopyran-2-on

3-<1-(4-Butylmercaptophenyl)-3-oxo-butyl>-4-hydroxy-2H-1-benzopyran-2-on

3-<3-(4-Butylsulfonylphenyl)-1-oxo-2-propenyl>-4-hydroxy-6-methyl-2H-pyran-2-on

4-Butylmercaptophenyl-3-buten-2-on

Refernces

• 1、 Qiao, Zongjun,Wei, Jianpeng,Jiang, Xuefeng. "Direct cross-coupling access to diverse aromatic sulfide: Palladium-catalyzed double C-S bond construction using Na2S 2O3 as a sulfurating reagent". supporting information. p. 1212 - 1215. Retrieved 2014/03/21.
• 2、 -. "Herbicidal cyclohexane-1,3-dione derivatives". . . Retrieved 2008/06/13.