Butyl o-benzoylbenzoate

Base Information

• Chemical Name: Butyl o-benzoylbenzoate
• CAS No.: 571-98-2
• Molecular Formula: C18H18O3
• Molecular Weight: 282.3337
• NSC Number: 8490
• DSSTox Substance ID: DTXSID50278611
• Wikidata: Q82010619
• Mol file: 571-98-2.mol

Synonyms:Butyl o-benzoylbenzoate;571-98-2;Ketonone B;n-Butyl-O-benzoyl benzoate;SCHEMBL818749;DTXSID50278611;NSC8490;NSC-8490

Chemical Property of Butyl o-benzoylbenzoate

Chemical Property:

• Vapor Pressure: 2.16E-06mmHg at 25°C
• Boiling Point: 393.3°C at 760 mmHg
• Flash Point: 171.6°C
• Density: 1.107g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 282.125594432
• Heavy Atom Count: 21
• Complexity: 344

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2

Technology Process of Butyl o-benzoylbenzoate

There total 5 articles about Butyl o-benzoylbenzoate 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: 78.0%

benzaldehyde (100-52-7) + n-butyl 2-iodobenzoate (67330-35-2) → butyl 2-benzoylbenzoate (571-98-2)

Guidance literature:

With tert.-butylhydroperoxide; palladium diacetate; silver(l) oxide; In water; at 120 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.6b01064

Reference yield: 60.0%

n-butyl 2-iodobenzoate (67330-35-2) + benzyl alcohol (100-51-6,185532-71-2) → butyl 2-benzoylbenzoate (571-98-2)

Guidance literature:

With tert.-butylhydroperoxide; palladium diacetate; silver(l) oxide; In water; at 120 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.201900769

Reference yield:

2-Benzoylbenzoic acid (85-52-9) + butan-1-ol (71-36-3) → butyl 2-benzoylbenzoate (571-98-2)

Guidance literature:

With sulfuric acid;

upstream raw materials:

diethyl ether

Phthalic acid dibutyl ester

2-Benzoylbenzoic acid

butan-1-ol

Refernces

• 1、 Suchand, Basuli,Satyanarayana, Gedu. "Palladium-Catalyzed Environmentally Benign Acylation". . p. 6409 - 6423. Retrieved 2016/08/16.