Benzeneacetic acid, -alpha--ethyl-4-methyl-, (-alpha-S)- (9CI)

Base Information

• Chemical Name: Benzeneacetic acid, -alpha--ethyl-4-methyl-, (-alpha-S)- (9CI)
• CAS No.: 73853-94-8
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.231
• Mol file: 73853-94-8.mol

Synonyms:Benzeneaceticacid, a-ethyl-4-methyl-, (S)-;(S)-2-(4-Methylphenyl)butanoic acid

Chemical Property of Benzeneacetic acid, -alpha--ethyl-4-methyl-, (-alpha-S)- (9CI)

Chemical Property:

• PSA: 37.30000
• LogP: 2.57320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzeneacetic acid, -alpha--ethyl-4-methyl-, (-alpha-S)- (9CI)

There total 7 articles about Benzeneacetic acid, -alpha--ethyl-4-methyl-, (-alpha-S)- (9CI) 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: 80.0%

2-ethyl-2-(4-methylphenyl)propane-1,3-dioic acid (4440-10-2) → (RS)-2-(p-tolyl)butyric acid (73853-94-8,89186-02-7,89254-41-1,68692-82-0)

Guidance literature:

With bornyl acetate; isobornyl acetate; at 158 - 163 ℃; for 3h; Product distribution; study of the asymmetric decarboxylation in various cholesteric liquid crystals;

Reference yield:

p-allyltoluene (3333-13-9) + benzene-1,3,5-triyl triformate → (RS)-2-(p-tolyl)butyric acid (73853-94-8,89186-02-7,89254-41-1,68692-82-0) + α-methyl-β-(4-methylphenyl)propionic acid (1012-15-3) + 4-(4-methylphenyl)butyric acid (4521-22-6)

Guidance literature:

With formic acid; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; at 100 ℃; Overall yield = 78.7 mg; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.9b02047

Reference yield:

4-tolylacetic acid (622-47-9) + ethyl iodide (75-03-6) → (RS)-2-(p-tolyl)butyric acid (73853-94-8,89186-02-7,89254-41-1,68692-82-0)

Guidance literature:

4-tolylacetic acid; With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; In tetrahydrofuran; hexane; at 0 - 20 ℃;

ethyl iodide; In tetrahydrofuran; hexane; at 20 ℃;

upstream raw materials:

2-(4-methyl)-phenyl-butyronitrile

2-ethyl-2-(4-methylphenyl)propane-1,3-dioic acid

4-tolylacetic acid

ethyl iodide

Downstream raw materials:

C₁₉H₂₆N₂O₅

C₁₉H₂₆N₂O₅

ethyl(p-tolyl)ketene

2-(p-tolyl)butanoyl chloride