Methyl 2-phenylpropionate, (S)-

Base Information

• Chemical Name: Methyl 2-phenylpropionate, (S)-
• CAS No.: 28645-07-0
• Molecular Formula: C₁₀H₁₂O₂
• Molecular Weight: 164.204
• UNII: MPL796NG2N
• Nikkaji Number: J61.984A
• Wikidata: Q27284163
• Mol file: 28645-07-0.mol

Synonyms:METHYL (2S)-2-PHENYLPROPANOATE;28645-07-0;MPL796NG2N;(S)-methyl 2-phenylpropionate;(S)-Methyl 2-phenylpropanoate;Methyl (S)-(+)-hydratropate;(+)-Methyl 2-phenylpropanoate;(+)-Methyl 2-phenylpropionate;Methyl 2-phenylpropionate, (S)-;Methyl 2-phenylpropionate, (+)-;methyl (2~{S})-2-phenylpropanoate;(+)-Methyl hydratropate;UNII-MPL796NG2N;(S)-Methyl2-phenylpropanoate;SCHEMBL5537242;Methyl (+)-alpha-phenylpropionate;BS-32220;METHYL (+)-.ALPHA.-PHENYLPROPIONATE;(alphaS)-alpha-Methylbenzeneacetic acid methyl ester;Q27284163;Benzeneacetic acid, alpha-methyl-, methyl ester, (alphaS)-;(.ALPHA.S)-.ALPHA.-METHYLBENZENEACETIC ACID METHYL ESTER;BENZENEACETIC ACID, .ALPHA.-METHYL-, METHYL ESTER, (.ALPHA.S)-;LXH

Chemical Property of Methyl 2-phenylpropionate, (S)-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)C(=O)OC
• Isomeric SMILES: C[C@@H](C1=CC=CC=C1)C(=O)OC

Technology Process of Methyl 2-phenylpropionate, (S)-

There total 119 articles about Methyl 2-phenylpropionate, (S)- 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: 100.0%

(R)-2-Phenylpropionic acid (7782-26-5) + diazomethyl-trimethyl-silane (18107-18-1) → methyl (R)-2-phenylpropanoate (2328-26-9,28645-07-0,31508-44-8,34083-55-1)

Guidance literature:

In methanol; hexane;

DOI:10.1039/b607211a

Reference yield: 92.8%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + methanol (67-56-1) + carbon monoxide (201230-82-2) → 3-phenylpropanoic acid methyl ester (103-25-3) + (S)-methyl 2-phenylpropanoate (28645-07-0)

Guidance literature:

PdCl₂-CuCl₂-chiral phosphine; copper dichloride; palladium dichloride; In butanone; at 80 ℃; for 24h; under 37503 Torr; Product distribution; optical yield; effect of solvent, pressure, P/Pd ratio,;

DOI:10.1016/S0022-328X(97)00241-6

Reference yield: 91.0%

2-phenyl-acrylic acid methyl ester (1865-29-8) → (S)-methyl 2-phenylpropanoate (28645-07-0) + methyl (R)-2-phenylpropanoate (2328-26-9,28645-07-0,31508-44-8,34083-55-1)

Guidance literature:

With C₄₄H₆₀O₂P₂; copper(II) acetate monohydrate; In toluene; tert-butyl alcohol; for 2h; Reagent/catalyst; Solvent; Inert atmosphere;

upstream raw materials:

diazomethane

(S)-2-Phenylpropionic acid

2-phenylpropionic acid methyl ester

methanol

Downstream raw materials:

(S)-2-Phenylpropionic acid

(S)-2-phenyl-1-propanol

acetic acid (R)-(+)-2-phenyl-1-propanol ester

(L)-2-phenylpropanehydrazide