Benzoic acid 2-methyl-propanoyl ester

Base Information

• Chemical Name: Benzoic acid 2-methyl-propanoyl ester
• CAS No.: 19820-59-8
• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.214
• DSSTox Substance ID: DTXSID501226117
• Nikkaji Number: J1.420.208K

Synonyms:benzoic acid 2-methyl-propanoyl ester;19820-59-8;SCHEMBL2729575;1-methylpropanoic phenyl anhydride;DTXSID501226117;Benzoic acid, anhydride with 2-methylpropanoic acid

Chemical Property of Benzoic acid 2-methyl-propanoyl ester

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzoic acid 2-methyl-propanoyl ester

There total 7 articles about Benzoic acid 2-methyl-propanoyl ester 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: 77.0%

benzoyl chloride (98-88-4) + isobutyric Acid (79-31-2) → benzoic isobutyric anhydride (19820-59-8)

Guidance literature:

resin-PPh₂-Co(PPh₃)2Cl₂; In dichloromethane; at 40 ℃; for 4h;

DOI:10.1021/jo0003293

Reference yield:

benzoyl chloride (98-88-4) + isobutyric Acid (79-31-2) → benzoic isobutyric anhydride (19820-59-8) + 2-Methylpropionic anhydride (97-72-3) + benzoic acid anhydride (93-97-0)

Guidance literature:

With P₄-VP; In dichloromethane; at 0 ℃; for 0.166667h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)85100-X

Reference yield:

thallium benzoate (5630-31-9) + isobutyryl chloride (79-30-1) → benzoic isobutyric anhydride (19820-59-8)

Guidance literature:

In diethyl ether;

DOI:10.1021/ja01011a040

upstream raw materials:

thallium benzoate

isobutyryl chloride

benzoyl chloride

isobutyric Acid

Downstream raw materials:

N-phenyl benzoyl amide

N-phenylisobutyramide

C₁₆H₁₈O₂

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