1-Butanone, 4-(benzoyloxy)-1-phenyl-

Base Information

• Chemical Name: 1-Butanone, 4-(benzoyloxy)-1-phenyl-
• CAS No.: 62973-33-5
• Molecular Formula: C17H16O3
• Molecular Weight: 268.312
• DSSTox Substance ID: DTXSID10439701
• Nikkaji Number: J2.442.128G
• Wikidata: Q82255736
• Mol file: 62973-33-5.mol

Synonyms:1-Butanone, 4-(benzoyloxy)-1-phenyl-;62973-33-5;gamma-(Benzoyloxy)butyrophenone;DTXSID10439701

Chemical Property of 1-Butanone, 4-(benzoyloxy)-1-phenyl-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 268.109944368
• Heavy Atom Count: 20
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Butanone, 4-(benzoyloxy)-1-phenyl-

There total 8 articles about 1-Butanone, 4-(benzoyloxy)-1-phenyl- 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: 81.0%

4-phenylbutyl benzoate (857839-66-8) + acetonitrile (75-05-8,26809-02-9) → (3-benzoyloxy)propyl phenyl ketone (62973-33-5) + 4-benzoyloxy-1-phenylbutyl nitrate (1332887-13-4) + N-(4-benzoyloxy-1-phenylbutyl)acetamide (1332887-39-4)

Guidance literature:

With N-hydroxyphthalimide; ammonium cerium (IV) nitrate; at 0 - 20 ℃; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.06.118

Reference yield: 68.0%

N-fluorobis(benzenesulfon)imide (133745-75-2) + pent-4-yn-1-yl benzoate (100330-28-7) → (3-benzoyloxy)propyl phenyl ketone (62973-33-5)

Guidance literature:

With tert.-butylhydroperoxide; water; copper(II) sulfate; In acetonitrile; at 80 ℃; for 4h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.0c03201

Reference yield: 40.0%

4-phenylbutyl benzoate (857839-66-8) → (3-benzoyloxy)propyl phenyl ketone (62973-33-5)

Guidance literature:

With manganese(II) chloride tetrahydrate; water; 3-chloro-benzenecarboperoxoic acid; 4,4',4-tri-tert-butyl-2,2':6',2-terpyridine; In acetonitrile; at 0 - 20 ℃; for 4h; chemoselective reaction;

DOI:10.1055/s-0029-1218809

upstream raw materials:

benzoyl chloride

(E)-3-(tri-n-butylstannyl)-2-propenal

4-phenylbutyl benzoate

acetonitrile

Downstream raw materials:

4-hydroxy-1-phenyl-butan-1-one

cyclopropyl phenyl ketone