Methyl 2-(3-hydroxyphenyl)-4-methylpentanoate

Base Information

• Chemical Name: Methyl 2-(3-hydroxyphenyl)-4-methylpentanoate
• CAS No.: 1257397-44-6
• Molecular Formula: C13H18O3
• Molecular Weight: 222.284
• Hs Code.: 2918290000
• Mol file: 1257397-44-6.mol

Synonyms:Methyl 2-(3-hydroxyphenyl)-4-Methylpentanoate;Benzeneacetic acid, 3-hydroxy-α-(2-methylpropyl)-, methyl ester

Chemical Property of Methyl 2-(3-hydroxyphenyl)-4-methylpentanoate

Chemical Property:

• Boiling Point: 324.3±17.0 °C(Predicted)
• PKA: 9.75±0.10(Predicted)
• PSA: 46.53000
• Density: 1.069±0.06 g/cm3(Predicted)
• LogP: 2.69490
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

Methyl2-(3-hydroxyphenyl)-4-methylpentanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 2-(3-hydroxyphenyl)-4-methylpentanoate

There total 3 articles about Methyl 2-(3-hydroxyphenyl)-4-methylpentanoate 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:

3-hydroxy-benzeneacetic acid, methyl ester (42058-59-3) → methyl 2-(3-(benzyloxy)phenyl)-4-methylpent-4-enoate (1257397-44-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium carbonate / acetonitrile / 6 h / 20 °C / Inert atmosphere

2.1: lithium hexamethyldisilazane / tetrahydrofuran / Inert atmosphere; Cooling

2.2: 20 °C / Inert atmosphere; Cooling

3.1: palladium 10% on activated carbon; hydrogen / methanol

With palladium 10% on activated carbon; hydrogen; potassium carbonate; lithium hexamethyldisilazane; In tetrahydrofuran; methanol; acetonitrile;

DOI:10.1021/ml200175q

Reference yield:

3-benzyloxy-phenylacetic acid methyl ester (62969-42-0) → methyl 2-(3-(benzyloxy)phenyl)-4-methylpent-4-enoate (1257397-44-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium hexamethyldisilazane / tetrahydrofuran / Inert atmosphere; Cooling

1.2: 20 °C / Inert atmosphere; Cooling

2.1: palladium 10% on activated carbon; hydrogen / methanol

With palladium 10% on activated carbon; hydrogen; lithium hexamethyldisilazane; In tetrahydrofuran; methanol;

DOI:10.1021/ml200175q

Reference yield:

C20H24O3 → methyl 2-(3-(benzyloxy)phenyl)-4-methylpent-4-enoate (1257397-44-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol;

DOI:10.1021/ml200175q

upstream raw materials:

3-benzyloxy-phenylacetic acid methyl ester

3-hydroxy-benzeneacetic acid, methyl ester

Downstream raw materials:

methyl 2-{6-[(4-fluorophenyl)(piperidin-1-yl)methyl]-4'-(trifluoromethyl)biphenyl-3-yl}-4-methylpentanoate

2-{6-[(4-fluoro-phenyl)-piperidin-1-yl-methyl]-4'-trifluoromethyl-biphenyl-3-yl}-4-methyl-pentanoic acid

4-methyl-2-(6-(4-methyl-1-(4-(trifluoromethyl)piperidin-1-yl)pentyl)-4'-(trifluoromethyl)biphenyl-3-yl)pentanoic acid

methyl 2-(4-formyl-3-hydroxyphenyl)-4-methylpentanoate

Refernces

• 1、 Xin, Zhili,Peng, Hairuo,Zhang, Andrew,Talreja, Tina,Kumaravel, Gnanasambandam,Xu, Lin,Rohde, Ellen,Jung, Mi-Yong,Shackett, Melanie N.,Kocisko, David,Chollate, Sowmya,Dunah, Anthone W.,Snodgrass-Belt, Pamela A.,Moore Arnold,Taveras, Arthur G.,Rhodes, Kenneth J.,Scannevin, Robert H.. "Discovery of 4-aminomethylphenylacetic acids as γ-secretase modulators via a scaffold design approach". . p. 7277 - 7280. Retrieved 2012/02/04.