2-(4-Methoxyphenyl)-3-methylbutanoic acid

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-3-methylbutanoic acid
• CAS No.: 51632-31-6
• Deprecated CAS: 55291-25-3
• Molecular Formula: C12H16O3
• Molecular Weight: 208.2536
• DSSTox Substance ID: DTXSID40965942
• Nikkaji Number: J254.264A
• Mol file: 51632-31-6.mol

Synonyms:2-(4-methoxyphenyl)-3-methylbutanoic acid;51632-31-6;Benzeneacetic acid, 4-methoxy-alpha-(1-methylethyl)-;alpha-isopropyl-(4-methoxyphenyl)acetic acid;SCHEMBL317875;DTXSID40965942;BCA63231;MFCD11590442;AKOS011682900;(S)-2-(4-Methoxyphenyl)isovaleric acid;EN300-1831211;AS-871/43477374

Chemical Property of 2-(4-Methoxyphenyl)-3-methylbutanoic acid

Chemical Property:

• Vapor Pressure: 6.59E-05mmHg at 25°C
• Melting Point: 153-156 °C
• Boiling Point: 330.6°Cat760mmHg
• PKA: 4.41±0.10(Predicted)
• Flash Point: 123.3°C
• PSA: 46.53000
• Density: 1.087g/cm³
• LogP: 2.51940
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

95%,98%, ^*data from raw suppliers

4-Methoxy-α-(1-methylethyl)-benzeneaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C1=CC=C(C=C1)OC)C(=O)O

Technology Process of 2-(4-Methoxyphenyl)-3-methylbutanoic acid

There total 7 articles about 2-(4-Methoxyphenyl)-3-methylbutanoic 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: 98.2%

2-(4-methoxyphenyl)-3-methylbutyronitrile (51632-18-9) → α-isopropyl-(4-methoxyphenyl)acetic acid (51632-31-6)

Guidance literature:

Reference yield: 98.0%

2-iodo-propane (75-30-9) + 4-Methoxyphenylacetic acid (104-01-8) → α-isopropyl-(4-methoxyphenyl)acetic acid (51632-31-6)

Guidance literature:

4-Methoxyphenylacetic acid; With n-butyllithium; In tetrahydrofuran; at 0 ℃; for 1.5h; Inert atmosphere;

2-iodo-propane; In tetrahydrofuran; for 0.25h; Inert atmosphere;

DOI:10.15227/orgsyn.094.0001

Reference yield: 66.0%

ethyl p-methoxyphenylacetate (14062-18-1) + isopropyl bromide (75-26-3) → α-isopropyl-(4-methoxyphenyl)acetic acid (51632-31-6)

Guidance literature:

With naphthalene; sodium; In tetrahydrofuran;

upstream raw materials:

2-(4-methoxyphenyl)-3-methylbutyronitrile

(S)-1-(4-pyridyl)ethanol

C₂₄H₃₀O₅

ethyl p-methoxyphenylacetate

Downstream raw materials:

2-(4-methoxyphenyl)-3-methylbutanoyl chloride

2-(4-Methoxy-3-nitrophenyl)-3-methylbuttersaeure

α-Fluoro-3-phenoxybenzyl α-isopropyl-(4-methoxyphenyl)acetate

4-methoxyphenyl isopropyl ketene

Refernces

• 1、 Staudaher, Nicholas D.,Lovelace, Joseph,Johnson, Michael P.,Louie, Janis. "Preparation of aryl alkyl ketenes". . p. 1 - 15. Retrieved 2017/06/02.
• 2、 Prasad Rao,Srimannarayana,Sundaramurthy. "Synthesis, insecticidal and antifeedant activities of new type of pyrethroid esters". . p. 1034 - 1040. Retrieved 2007/10/02.