Isobutyrate phenylethyl methyl carbinol

Base Information

• Chemical Name: Isobutyrate phenylethyl methyl carbinol
• CAS No.: 85733-06-8
• Molecular Formula: C14H20O2
• Molecular Weight: 220.312
• UNII: 3B4767J18U
• Wikidata: Q27256989
• Mol file: 85733-06-8.mol

Synonyms:Isobutyrate phenylethyl methyl carbinol;3B4767J18U;UNII-3B4767J18U;85733-06-8;Propanoic acid, 2-methyl-, 1-methyl-3-phenylpropyl ester;Q27256989

Chemical Property of Isobutyrate phenylethyl methyl carbinol

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 220.146329876
• Heavy Atom Count: 16
• Complexity: 205

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(=O)OC(C)CCC1=CC=CC=C1

Technology Process of Isobutyrate phenylethyl methyl carbinol

There total 5 articles about Isobutyrate phenylethyl methyl carbinol 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: 99.0%

trimethylsilyl isobutyrate (16883-61-7) + 1-methyl-3-phenylpropyl trimethylsilyl ether (141809-67-8) → 1-methyl-3-phenylpropyl 2-methylpropionate (85733-06-8)

Guidance literature:

With tin(II) trifluoromethanesulfonate; 4-(trifluoromethyl)benzoic anhydride; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1246/bcsj.66.1516

Reference yield: 86.0%

4-phenyl-2-butyl 1-imidazolecarboxylate (113761-32-3) + isopropylmagnesium chloride (1068-55-9) → 1-methyl-3-phenylpropyl 2-methylpropionate (85733-06-8)

Guidance literature:

In tetrahydrofuran; at 0 - 23 ℃; for 14h;

DOI:10.1021/jo060562m

Reference yield: 65.0%

ethyl β-methylthiopropionate (2432-50-0) + 1-phenyl-3-butanol (2344-70-9) → 1-methyl-3-phenylpropyl 2-methylpropionate (85733-06-8)

Guidance literature:

With lithium tetrafluoroborate; In acetonitrile; Ambient temperature; Pt-electrodes, 50 mA;

DOI:10.1246/cl.1990.1223

upstream raw materials:

trimethylsilyl isobutyrate

1-methyl-3-phenylpropyl trimethylsilyl ether

ethyl β-methylthiopropionate

1-phenyl-3-butanol

Refernces

• 1、 Miyashita, Mitsutomo,Shiina, Isamu,Miyoshi, So,Mukaiyama, Teruaki. "A New and Efficient Esterification Reaction via Mixed Anhydrides by the Promotion of a Catalytic Amount of Lewis Acid". . p. 1516 - 1527. Retrieved 2007/10/02.
• 2、 Yamaguchi, Masahiko,Tsukamoto, Yukiharu,Minami, Toru. "A Novel Transesterification of Thioesters with Alcohols by an Electrochemical Activation". . p. 1223 - 1226. Retrieved 2007/10/02.