3-Phenylpropyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: 3-Phenylpropyl 4-methylbenzenesulfonate
• CAS No.: 3742-75-4
• Molecular Formula: C16H18O3S
• Molecular Weight: 290.383
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID80451036
• Nikkaji Number: J953.254D
• Mol file: 3742-75-4.mol

Synonyms:3-PHENYLPROPYL 4-METHYLBENZENESULFONATE;3742-75-4;3-phenylpropyl p-toluenesulfonate;3-phenylpropyl 4-methylbenzene-1-sulfonate;phenylpropyl p-toluenesulfonate;SCHEMBL7028389;DTXSID80451036;PNTNYXPTUOOGOK-UHFFFAOYSA-N;AKOS005111035;p-Toluenesulfonic acid hydrocinnamyl ester;3-PHENYLPROPYL4-METHYLBENZENESULFONATE;EN300-7070341;A924089

Chemical Property of 3-Phenylpropyl 4-methylbenzenesulfonate

Chemical Property:

• PSA: 51.75000
• LogP: 4.41390
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 290.09766561
• Heavy Atom Count: 20
• Complexity: 358

Purity/Quality:

97% ^*data from raw suppliers

3-Phenylpropyl 4-methylbenzenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC=CC=C2

Technology Process of 3-Phenylpropyl 4-methylbenzenesulfonate

There total 8 articles about 3-Phenylpropyl 4-methylbenzenesulfonate 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%

trimethyl(3-phenylpropoxy)silane (14629-60-8) + p-toluenesulfonyl fluoride (455-16-3) → 3-phenylpropyl 4-methylbenzenesulfonate (3742-75-4)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 4h;

DOI:10.1055/s-2008-1078407

Reference yield: 95.0%

p-toluenesulfonyl fluoride (455-16-3) + tert-butyldimethyl(3-phenylpropoxy)silane (69404-95-1) → 3-phenylpropyl 4-methylbenzenesulfonate (3742-75-4)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; for 4h; Reflux;

DOI:10.1055/s-2008-1078407

Reference yield: 94.0%

3-Phenyl-1-propanol (122-97-4) + p-toluenesulfonyl chloride (98-59-9) → 3-phenylpropyl 4-methylbenzenesulfonate (3742-75-4)

Guidance literature:

With pyridine; In dichloromethane;

DOI:10.1016/j.tetasy.2005.09.009

upstream raw materials:

3-Phenyl-1-propanol

p-toluenesulfonyl chloride

toluene-4-sulfonic acid

trimethyl(3-phenylpropoxy)silane

Downstream raw materials:

N,N-dimethyl-3-phenylpropylamine

2-(3-Phenyl-propylamino)-ethanthiol

1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one

3-Phenyl-1-propanol