3-(2-Methoxy-5-methylphenyl)-3-phenylpropyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: 3-(2-Methoxy-5-methylphenyl)-3-phenylpropyl 4-methylbenzenesulfonate
• CAS No.: 124937-85-5
• Molecular Formula: C24H26O4S
• Molecular Weight: 410.534
• DSSTox Substance ID: DTXSID90457448
• Mol file: 124937-85-5.mol

Synonyms:124937-85-5;3-(2-Methoxy-5-methylphenyl)-3-phenylpropyl 4-methylbenzenesulfonate;[3-(2-methoxy-5-methylphenyl)-3-phenylpropyl] 4-methylbenzenesulfonate;3-(2-Methoxy-5-methylphenyl)-3-phenylpropyl4-methylbenzenesulfonate;2-methoxy-5-methyl-g-phenyl-Benzenepropanol 1-(4-methylbenzenesulfonate);SCHEMBL4001032;AMY8933;DTXSID90457448;A908694;toluene-4-sulphonic acid-3-(2-methoxy-5-methylphenyl)-3-phenylpropyl ester

Chemical Property of 3-(2-Methoxy-5-methylphenyl)-3-phenylpropyl 4-methylbenzenesulfonate

Chemical Property:

• Appearance/Colour: white powder
• Boiling Point: 575.1±50.0 °C(Predicted)
• PSA: 60.98000
• Density: 1.167±0.06 g/cm3(Predicted)
• LogP: 6.32030
• Storage Temp.: 2-8°C
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 410.15518048
• Heavy Atom Count: 29
• Complexity: 570

Purity/Quality:

97% ^*data from raw suppliers

3-(2-Methoxy-5-methylphenyl)-3-phenylpropyl4-methylbenzenesulfonate 95+% ^*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)OCCC(C2=CC=CC=C2)C3=C(C=CC(=C3)C)OC

Technology Process of 3-(2-Methoxy-5-methylphenyl)-3-phenylpropyl 4-methylbenzenesulfonate

There total 3 articles about 3-(2-Methoxy-5-methylphenyl)-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: 85.0%

3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol (124937-73-1) + p-toluenesulfonyl chloride (98-59-9) → toluene-4-sulfonic acid-3-(2-methoxy-5-methyl-phenyl)-3-phenyl propyl ester (124937-85-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

Reference yield:

1-methoxy-4-methyl-2-(1-phenyl-vinyl)-benzene (389068-20-6) → toluene-4-sulfonic acid-3-(2-methoxy-5-methyl-phenyl)-3-phenyl propyl ester (124937-85-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ferric(III) bromide; isopropyl alcohol / dichloromethane / 12 h / 75 °C

2: pyridine / dichloromethane / 0 °C

With pyridine; ferric(III) bromide; isopropyl alcohol; In dichloromethane;

DOI:10.1002/anie.201602130

Reference yield:

→ toluene-4-sulfonic acid-3-(2-methoxy-5-methyl-phenyl)-3-phenyl propyl ester (124937-85-5)

Guidance literature:

upstream raw materials:

3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol

p-toluenesulfonyl chloride

1-methoxy-4-methyl-2-(1-phenyl-vinyl)-benzene

Downstream raw materials:

N,N-diisopropyl-3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-amine