Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI)

Base Information

• Chemical Name: Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI)
• CAS No.: 172824-87-2
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• Mol file: 172824-87-2.mol

Synonyms:Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI)

Chemical Property of Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI)

Chemical Property:

• PSA: 37.30000
• LogP: 3.17220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI)

There total 9 articles about Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (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: 98.0%

2-(4-(tert-butyl)phenyl)acrylic acid (6448-13-1) → (S)-α-methyl-4-(isobutyl)phenylacetic acid (172824-87-2)

Guidance literature:

With C₄₈H₅₀Cl₄N₂O₂P₂Ru₃; hydrogen; sodium hydrogencarbonate; In methanol; at 20 ℃; for 24h; under 3750.38 Torr; enantioselective reaction; Autoclave;

DOI:10.1021/acs.orglett.6b00748

Reference yield: 89.0%

carbon monoxide (201230-82-2) + 4-tert-Butylstyrene (1746-23-2,26009-55-2) → (S)-α-methyl-4-(isobutyl)phenylacetic acid (172824-87-2)

Guidance literature:

With water; hydrogen iodide; C₅₂H₅₂NO₃P; palladium dichloride; In tetrahydrofuran; at 20 ℃; for 72h; under 34202.3 Torr; enantioselective reaction; Autoclave;

DOI:10.1002/anie.202107856

Reference yield: 77.0%

(+)-2S-(4-t-butylphenyl)hexan-3,4-dione (172754-49-3) → (S)-α-methyl-4-(isobutyl)phenylacetic acid (172824-87-2)

Guidance literature:

With sodium periodate; In methanol; water; at 20 ℃;

DOI:10.1016/S0040-4020(97)00837-5

upstream raw materials:

(+)-2S-(4-t-butylphenyl)hexan-3,4-dione

methyl 2-(4-tert-butylphenyl)acetate

2-[2-(4-t-butylphenyl)acetyl]-2-ethyl-1,3-dithiane

carbon monoxide