Benzyl 3-(benzyloxy)-2-methylpropanoate

Base Information

• Chemical Name: Benzyl 3-(benzyloxy)-2-methylpropanoate
• CAS No.: 91796-44-0
• Molecular Formula: C18H20O3
• Molecular Weight: 284.355
• DSSTox Substance ID: DTXSID00537043
• Mol file: 91796-44-0.mol

Synonyms:91796-44-0;Benzyl 3-(benzyloxy)-2-methylpropanoate;DTXSID00537043

Chemical Property of Benzyl 3-(benzyloxy)-2-methylpropanoate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 284.14124450
• Heavy Atom Count: 21
• Complexity: 291

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(COCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Technology Process of Benzyl 3-(benzyloxy)-2-methylpropanoate

There total 4 articles about Benzyl 3-(benzyloxy)-2-methylpropanoate 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:

benzyl alcohol (100-51-6,185532-71-2) → Benzyl 3-(phenylmethoxy)-2-methylpropanoate (91796-44-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / p-toluenesulfonic acid / benzene / 15 h / Heating

2: 1) NaH / 1) 30 min, room temperature 2) 18h, room temperature

With sodium hydride; toluene-4-sulfonic acid; In benzene;

DOI:10.1021/jo00196a022

Reference yield:

O-benzyl 2,2,2-trichloroacetimidate (81927-55-1) + (S)-(+)-3-hydroxy-2-methyl-propanoic acid (26543-05-5) → Benzyl 3-(phenylmethoxy)-2-methylpropanoate (91796-44-0)

Guidance literature:

trifluorormethanesulfonic acid; In dichloromethane; cyclohexane; Yield given; Ambient temperature;

DOI:10.1016/S0040-4039(00)81682-2

Reference yield:

benzyl methacrylate (2495-37-6,25085-83-0) + benzyl alcohol (100-51-6,185532-71-2) → Benzyl 3-(phenylmethoxy)-2-methylpropanoate (91796-44-0)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1) 30 min, room temperature 2) 18h, room temperature;

DOI:10.1021/jo00196a022

upstream raw materials:

O-benzyl 2,2,2-trichloroacetimidate

(S)-(+)-3-hydroxy-2-methyl-propanoic acid

benzyl methacrylate

benzyl alcohol

Downstream raw materials:

3-(benzyloxy)-2-methylpropan-1-ol

(R)-3-(benzyloxy)-2-methylpropan-1-ol

3-(benzyloxy)-2-methylpropanal

(2S)-3-Benzyloxy-2-methyl-1-p-(toluenesulphonyloxy)propane