2-Butanone, 4-(benzoyloxy)-

Base Information

• Chemical Name: 2-Butanone, 4-(benzoyloxy)-
• CAS No.: 29342-27-6
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• DSSTox Substance ID: DTXSID60447639
• Nikkaji Number: J2.443.800G
• Wikidata: Q82266512
• Mol file: 29342-27-6.mol

Synonyms:3-oxobutyl benzoate;2-Butanone, 4-(benzoyloxy)-;29342-27-6;3-oxobutylbenzoate;acetylmethylcarbinol benzoate;Benzoic acid 3-oxobutyl ester;benzoic acid 3-oxo-butyl ester;SCHEMBL7557139;DTXSID60447639;methyl beta-benzoyloxyethyl ketone;YRRYDUBYQRWSRJ-UHFFFAOYSA-N

Chemical Property of 2-Butanone, 4-(benzoyloxy)-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCOC(=O)C1=CC=CC=C1

Technology Process of 2-Butanone, 4-(benzoyloxy)-

There total 11 articles about 2-Butanone, 4-(benzoyloxy)- 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: 96.0%

1-Hydroxy-3-butanone (590-90-9) + benzoyl chloride (98-88-4) → 3-oxobutyl benzoate (29342-27-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 3h;

Reference yield: 83.0%

3-methylbut-3-enyl benzoate (5205-12-9) → 3-oxobutyl benzoate (29342-27-6) + 3,4-dihydroxy-3-methylbutyl benzoate (139710-45-5) + 2,4-dihydroxy-2-methylbutyl benzoate

Guidance literature:

With potassium osmate(VI); tetraethylammonium tosylate; periodic acid; In water; acetonitrile; for 22.5h; Yields of byproduct given; Ambient temperature; electrolysis;

DOI:10.1246/bcsj.68.2989

Reference yield: 58.0%

3-butynyl benzoate (122471-85-6) → 3-oxobutyl benzoate (29342-27-6)

Guidance literature:

With [RhCl₂(p-cymene)]2; water; at 20 ℃; for 24h;

DOI:10.1055/s-0035-1561864

upstream raw materials:

1-Hydroxy-3-butanone

benzoyl chloride

3-methylbut-3-enyl benzoate

iodosylbenzene

Downstream raw materials:

methyl vinyl ketone

benzoic acid

Benzoic acid 3-((2S,5S)-2,5-dimethoxy-1,4-dimethyl-3,6-dioxo-piperazin-2-yl)-3-hydroxy-butyl ester

Benzoic acid 3-((2S,5S)-2,5-dimethoxy-1,4-dimethyl-3,6-dioxo-piperazin-2-yl)-but-3-enyl ester