4-Phenylmercapto-butylbromide

Base Information

• Chemical Name: 4-Phenylmercapto-butylbromide
• CAS No.: 17742-54-0
• Molecular Formula: C10H13BrS
• Molecular Weight: 245.183
• DSSTox Substance ID: DTXSID10458033
• Nikkaji Number: J2.562.467J
• Wikidata: Q82281156
• Mol file: 17742-54-0.mol

Synonyms:4-phenylmercapto-butylbromide;17742-54-0;[(4-BROMOBUTYL)SULFANYL]BENZENE;4-phenylthiobutyl bromide;4-phenylmercaptobutylbromide;4-phenylmercapto-butyl bromide;4-Bromo-1-(phenylthio)butane;SCHEMBL7392714;4-phenylmercapto- butyl bromide;4-(phenylmercapto)-butyl bromide;DTXSID10458033;UBTYAHFMUFSMLS-UHFFFAOYSA-N;EN300-674419

Chemical Property of 4-Phenylmercapto-butylbromide

Chemical Property:

• Boiling Point: 112-114 °C(Press: 0.6 Torr)
• PSA: 25.30000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 3.95380
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 243.99213
• Heavy Atom Count: 12
• Complexity: 100

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SCCCCBr

Technology Process of 4-Phenylmercapto-butylbromide

There total 4 articles about 4-Phenylmercapto-butylbromide 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: 58.2%

1,4-dibromo-butane (110-52-1) + thiophenol (108-98-5) → 4-phenylsulfanyl-1-bromobutane (17742-54-0)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; at 20 ℃; for 4h;

DOI:10.1016/j.bmc.2013.07.011

Reference yield: 58.0%

thiophene (110-01-0) + 2-(trimethylsilyl)phenyl trifluoromethanesulfonate (88284-48-4) → 4-phenylsulfanyl-1-bromobutane (17742-54-0)

Guidance literature:

With 18-crown-6 ether; water; potassium bromide; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tet.2018.04.072

Reference yield: 21.0%

1-bromo-4-butene (5162-44-7) + thiophenol (108-98-5) → 4-phenylsulfanyl-1-bromobutane (17742-54-0)

Guidance literature:

for 1h; Ambient temperature; Irradiation;

DOI:10.1021/jo00387a028

upstream raw materials:

1-bromo-4-butene

thiophenol

1,4-dibromo-butane

sodium thiophenolate

Downstream raw materials:

7-Phenylthio-3-heptanon

1-(4-phenylsulfanylbutyl)pyrrolidin-2-one

1-(4-phenylsulfanylbutyl)piperidin-2-one

1-(4-phenylsulfanyl-butyl)-azepan-2-one

Refernces

• 1、 Su, Tao,Xie, Shishun,Wei, Hui,Yan, Jun,Huang, Ling,Li, Xingshu. "Synthesis and biological evaluation of berberine-thiophenyl hybrids as multi-functional agents: Inhibition of acetylcholinesterase, butyrylcholinesterase, and Aβ aggregation and antioxidant activity". . p. 5830 - 5840. Retrieved 2013/09/12.
• 2、 -. "BENZOIC ACID COMPOUNDS AND USE THEREOF AS MEDICAMENTS". . . Retrieved 2008/06/13.