1,4-Diacetoxy-2-oxobutane

Base Information

• Chemical Name: 1,4-Diacetoxy-2-oxobutane
• CAS No.: 33245-14-6
• Molecular Formula: C8H12O5
• Molecular Weight: 188.17800
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID30415663
• Nikkaji Number: J1.365.768H
• Wikidata: Q82224626
• Mol file: 33245-14-6.mol

Synonyms:1,4-DIACETOXY-2-OXOBUTANE;33245-14-6;(4-acetyloxy-3-oxobutyl) acetate;(4-Acetoxy-3-oxo-butyl) acetate;ghl.PD_Mitscher_leg0.690;2-oxobutane-1,4-diyl diacetate;DTXSID30415663;Diacetic acid 2-oxo-1,4-butanediyl;AKOS006285484;Acetic acid 4-acetoxy-3-oxo-butyl ester;FT-0752266

Chemical Property of 1,4-Diacetoxy-2-oxobutane

Chemical Property:

• PSA: 69.67000
• LogP: 0.07180
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 188.06847348
• Heavy Atom Count: 13
• Complexity: 209

Purity/Quality:

99%min ^*data from raw suppliers

1,4-DIACETOXY-2-OXOBUTANE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCC(=O)COC(=O)C

Technology Process of 1,4-Diacetoxy-2-oxobutane

There total 8 articles about 1,4-Diacetoxy-2-oxobutane 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:

sodium acetate (127-09-3) + (4-hydroxy-1-butynyl)phenyliodonium tetrafluoroborate → 1-acetoxybut-3-en-2-one (38982-28-4) + 1,4-diacetoxy-2-butanone (33245-14-6)

Guidance literature:

With water; In tetrahydrofuran; for 0.5h; Title compound not separated from byproducts; Ambient temperature;

DOI:10.1021/jo00278a012

Reference yield:

2-butyn-1,4-diol diacetate (1573-17-7) → 1,4-diacetoxy-2-butanone (33245-14-6)

Guidance literature:

With mercury(II) diacetate; acetic acid;

Reference yield:

mercury(II) diacetate (1600-27-7) → 1,4-diacetoxy-2-butanone (33245-14-6)

Guidance literature:

With acetic acid;

upstream raw materials:

2-butyn-1,4-diol diacetate

1,4-dihydroxy-2-butanone

acetic anhydride

mercury(II) diacetate

Downstream raw materials:

2-(4-formylphenoxy)methoxyethyl acetate

1-acetoxybut-3-en-2-one

1-hydroxy-4-methoxy-2-butanone

Refernces

• 1、 Bassetti, Mauro,Floris, Barbara. "Metalation of Alkynes. Part 2. Behaviour of Alkynes with Mercury(II)Acetate in Methanol: a Systematic Reinvestigation". . p. 227 - 234. Retrieved 2007/10/02.