3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid

Base Information

• Chemical Name: 3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid
• CAS No.: 109089-77-2
• Molecular Formula: C17H18O3
• Molecular Weight: 270.328
• Hs Code.: 2918990090
• European Community (EC) Number: 600-896-9
• DSSTox Substance ID: DTXSID40392759
• Mol file: 109089-77-2.mol

Synonyms:109089-77-2;3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid;3-(2-Methoxy-5-methylphenyl)-3-phenyl-propanoic Acid;3-(2-METHOXY-5-METHYLPHENYL)-3-PHENYL PROPIONIC ACID;3-(2-methoxy-5-methylphenyl)-3-phenylpropionic acid;3-(2-METHOXY-5-METHYL-PHENYL)-3-PHENYL-PROPIONIC ACID;SCHEMBL617039;3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoicacid;DTXSID40392759;BCP11949;MFCD01098026;AKOS015899915;AC-3467;AS-35369;CS-0321364;FT-0642670;M2367;2-Methoxy-5-Methyl-beta-Phenylbenzene Propanoic Acid

Chemical Property of 3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid

Chemical Property:

• Appearance/Colour: white crystalline solid
• Vapor Pressure: 8.98E-08mmHg at 25°C
• Melting Point: 130-132 °C
• Refractive Index: 1.569
• Boiling Point: 419.1 °C at 760 mmHg
• Flash Point: 151.4 °C
• PSA: 46.53000
• Density: 1.138 g/cm³
• LogP: 3.61020
• Storage Temp.: 2-8°C
• Solubility.: DMF, DMSO, Methanol
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 270.125594432
• Heavy Atom Count: 20
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

3-(2-Methoxy-5-methylphenyl)-3-phenyl-propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC)C(CC(=O)O)C2=CC=CC=C2
• Uses: 3-(2-Methoxy-5-methylphenyl)-3-phenyl-propanoic Acid (cas# 109089-77-2) is a compound useful in organic synthesis.

Technology Process of 3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid

There total 7 articles about 3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid 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: 95.0%

p-methylanizole (104-93-8) + (E)-3-phenylacrylic acid (140-10-3) → 3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propionic acid (73779-10-9) + 3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propionic acid (109089-77-2)

Guidance literature:

With toluene-4-sulfonic acid; at 125 ℃; for 3h;

DOI:10.1016/j.tetlet.2007.05.059

Reference yield: 83.0%

6-methyl-4-phenyl-3,4-dihydrocoumarin (40546-94-9) + dimethyl sulfate (77-78-1) → 3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propionic acid (109089-77-2)

Guidance literature:

6-methyl-4-phenyl-3,4-dihydrocoumarin; With water; sodium hydroxide; at 60 - 65 ℃; for 2h;

dimethyl sulfate; In water; at 20 ℃; for 3h;

Reference yield:

[3-(2-methoxy-5-methyl-phenyl)-3-phenyl-prop-1-ynyl]-trimethyl-silane (685881-14-5) → 3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propionic acid (109089-77-2)

Guidance literature:

[3-(2-methoxy-5-methyl-phenyl)-3-phenyl-prop-1-ynyl]-trimethyl-silane; With bis(cyclohexanyl)borane; In tetrahydrofuran; at 0 ℃; for 1.5h;

With sodium hydroxide; dihydrogen peroxide; In tetrahydrofuran; methanol; water;

DOI:10.1021/ol049649p

upstream raw materials:

6-methyl-4-phenyl-3,4-dihydrocoumarin

dimethyl sulfate

[3-(2-methoxy-5-methyl-phenyl)-3-phenyl-prop-1-ynyl]-trimethyl-silane

p-methylanizole

Downstream raw materials:

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

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

3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propionyl chloride

Refernces

• 1、 -. "A PROCESS FOR THE PREPARATION OF TOLTERODINE TARTRATE". Paragraph 148-155. . Retrieved 2010/09/03.
• 2、 Kennedy-Smith, Joshua J.,Young, Lauren A.,Toste, F. Dean. "Rhenium-catalyzed aromatic propargylation". . p. 1325 - 1327. Retrieved 2007/10/03.