(-)-Benzylmethylphenylsilylacetic Acid

Base Information

• Chemical Name: (-)-Benzylmethylphenylsilylacetic Acid
• CAS No.: 95373-54-9
• Molecular Formula: C₁₆H₁₈O₂Si
• Molecular Weight: 270.403
• European Community (EC) Number: 678-032-5,678-033-0
• DSSTox Substance ID: DTXSID401216149
• Nikkaji Number: J2.641.308G
• Mol file: 95373-54-9.mol

Synonyms:(-)-Benzylmethylphenylsilylacetic Acid;95349-35-2;95373-54-9;2-(benzyl-methyl-phenylsilyl)acetic acid;(+)-Benzylmethylphenylsilylacetic Acid;(-)-BENZYLMETHYLPHENYLSILYLACETICACID;MFCD00191393;(+)-Benzylmethylphenylsilylacetic Acid [for e.e. Determination by NMR];103803-94-7;SCHEMBL7813912;Acetic acid, [methylphenyl(phenylmethyl)silyl]-, (+)-;Acetic acid, [methylphenyl(phenylmethyl)silyl]-, (-)-;JIPQZCPYHVQEIZ-UHFFFAOYSA-N;DTXSID401216149;VDA34935;2-[benzyl(methyl)phenylsilyl]acetic acid;2-(Benzyl(methyl)(phenyl)silyl)acetic acid;B1720;B1721;Acetic acid, 2-[methylphenyl(phenylmethyl)silyl]-;(-)-Benzylmethylphenylsilylacetic Acid [for e.e. Determination by NMR]

Chemical Property of (-)-Benzylmethylphenylsilylacetic Acid

Chemical Property:

• Melting Point: 70 °C
• Boiling Point: 420.2±38.0 °C(Predicted)
• PKA: 4.79±0.10(Predicted)
• PSA: 37.30000
• Density: 1.09±0.1 g/cm3(Predicted)
• LogP: 3.10510
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 270.107606347
• Heavy Atom Count: 19
• Complexity: 293

Purity/Quality:

98%,99%, ^*data from raw suppliers

(+)-BenzylmethylphenylsilylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[Si](CC1=CC=CC=C1)(CC(=O)O)C2=CC=CC=C2

Technology Process of (-)-Benzylmethylphenylsilylacetic Acid

There total 1 articles about (-)-Benzylmethylphenylsilylacetic 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:

carbon dioxide (124-38-9,18923-20-1) + (benzylmethylphenylsilyl)methyl chloride (57222-25-0) → (+/-)-benzylmethylphenylsilylacetic acid (95349-35-2,95373-54-9,103803-94-7)

Guidance literature:

With magnesium; Yield given. Multistep reaction; 1.) THF, reflux, 3h; 2.) addition to dry ice -> r.t.;

DOI:10.1246/bcsj.59.3581

Reference yield:

(+/-)-benzylmethylphenylsilylacetic acid (95349-35-2,95373-54-9,103803-94-7) → 2-(Benzyl-methyl-phenyl-silanyl)-N-[1-(4-methoxy-phenyl)-ethyl]-acetamide

Guidance literature:

Multi-step reaction with 2 steps

2: 2-chloro-1-methylpyridinium iodide, tributylamine / CH₂Cl₂ / 1 h / Heating

With tributyl-amine; 2-chloro-1-methyl-pyridinium iodide; In dichloromethane;

DOI:10.1246/bcsj.59.3581

Reference yield:

(+/-)-benzylmethylphenylsilylacetic acid (95349-35-2,95373-54-9,103803-94-7) → (-)-(benzylmethylphenylsilyl)acetic acid

Guidance literature:

DOI:10.1246/bcsj.59.3581

upstream raw materials:

carbon dioxide

(benzylmethylphenylsilyl)methyl chloride

Refernces