4-(tert-Butylthio)benzaldehyde

Base Information

• Chemical Name: 4-(tert-Butylthio)benzaldehyde
• CAS No.: 88357-16-8
• Molecular Formula: C11H14 O S
• Molecular Weight: 194.298
• Hs Code.: 2930909090
• European Community (EC) Number: 811-918-3
• DSSTox Substance ID: DTXSID20464706
• Nikkaji Number: J1.873.343I
• Wikidata: Q82290147
• Mol file: 88357-16-8.mol

Synonyms:88357-16-8;4-(tert-Butylthio)benzaldehyde;4-(tert-Butylsulfanyl)benzenecarbaldehyde;4-tert-butylsulfanylbenzaldehyde;4-(tert-butylsulfanyl)benzaldehyde;SCHEMBL5057067;DTXSID20464706;MFCD08443944;4-[(tert-Butyl)sulphanyl]benzaldehyde;AKOS005070625;FT-0680411;4X-0731;A862221;J-513873

Chemical Property of 4-(tert-Butylthio)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.00127mmHg at 25°C
• Refractive Index: 1.547
• Boiling Point: 298.4°C at 760 mmHg
• Flash Point: 143.2°C
• PSA: 42.37000
• Density: 1.05g/cm³
• LogP: 3.38970
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 194.07653624
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

98%Min ^*data from raw suppliers

4-(tert-butylsulfanyl)benzenecarbaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(tert-Butylthio)benzaldehyde

There total 13 articles about 4-(tert-Butylthio)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: 90.0%

4-fluorobenzaldehyde (459-57-4) + 2-methylpropan-2-thiol (75-66-1) → 4-(1,1-dimethylethylthio)benzaldehyde (88357-16-8)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 100 ℃; for 3h;

DOI:10.1039/b414197k

Reference yield: 89.0%

4-nitrobenzaldehdye (555-16-8) + 2-methylpropan-2-thiol (75-66-1) → 4-(1,1-dimethylethylthio)benzaldehyde (88357-16-8)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 25 ℃; for 0.75h;

DOI:10.1016/j.tet.2005.11.073

Reference yield: 83.0%

tert-butyl 4-bromophenyl sulfide (25752-90-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-(1,1-dimethylethylthio)benzaldehyde (88357-16-8)

Guidance literature:

tert-butyl 4-bromophenyl sulfide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h;

N,N-dimethyl-formamide; In tetrahydrofuran; water; at 20 ℃; for 0.5h;

DOI:10.1081/SCC-120015820

upstream raw materials:

tert-butyl 4-bromophenyl sulfide

N,N-dimethyl-formamide

4-fluorobenzaldehyde

2-methylpropan-2-thiol

Downstream raw materials:

C₁₅H₂₀OS

{4-[(E)-2-(4-(2,2':6',2''-terpyridin-4'-yl)-phenyl)vinyl]phenyl} tert-butyl sulfide

Refernces

• 1、 Jevric, Martyn,Petersen, Anne Ugleholdt,Mans?, Mads,Madsen, Anders,Nielsen, Mogens Br?ndsted. "Bismuth(III)-Promoted Acetylation of Thioethers into Thioacetates". . p. 4675 - 4688. Retrieved 2015/08/03.
• 2、 Grunder, Sergio,Huber, Roman,Wu, Songmei,Schoenenberger, Christian,Calame, Michel,Mayor, Marcel. "Novel cruciform structures as model compounds for coordination induced single molecule switches". . p. 140 - 144. Retrieved 2011/08/04.