1,4-Butanedione, 1,4-diphenyl-2,3-epoxy-

Base Information

• Chemical Name: 1,4-Butanedione, 1,4-diphenyl-2,3-epoxy-
• CAS No.: 4440-98-6
• Molecular Formula: C16H12O3
• Molecular Weight: 252.269
• NSC Number: 220062,39792
• DSSTox Substance ID: DTXSID30963215
• Nikkaji Number: J42.098K
• ChEMBL ID: CHEMBL1718221
• Mol file: 4440-98-6.mol

Synonyms:2,3-Dibenzoyloxirane;4440-98-6;NSC 39792;Methanone, 2,3-oxiranediylbis[phenyl-;1,4-Diphenyl-2,3-epoxy-1,4-butanedione;AI3-51314;MLS002608182;1,4-BUTANEDIONE, 1,4-DIPHENYL-2,3-EPOXY-;Methanone, 2,3-oxiranediylbis(phenyl-;NSC39792;1,3-epoxy-1,4-butanedione;WLN: T3OTJ BVR& CVR;CHEMBL1718221;SCHEMBL10942440;DTXSID30963215;1, 1,4-diphenyl-2,3-epoxy-;HMS3078H14;Methanone,3-oxiranediylbis[phenyl-;NSC-39792;NSC220062;NSC-220062;(Oxirane-2,3-diyl)bis(phenylmethanone);LS-45880;SMR001526933;82389-32-0

Chemical Property of 1,4-Butanedione, 1,4-diphenyl-2,3-epoxy-

Chemical Property:

• Vapor Pressure: 2.94E-07mmHg at 25°C
• Boiling Point: 419.9°C at 760 mmHg
• Flash Point: 188.2°C
• Density: 1.272g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 317

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2C(O2)C(=O)C3=CC=CC=C3

Technology Process of 1,4-Butanedione, 1,4-diphenyl-2,3-epoxy-

There total 12 articles about 1,4-Butanedione, 1,4-diphenyl-2,3-epoxy- 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: 90.0%

1,4-diphenylbut-2-ene-1,4-dione (959-28-4) → trans-2,3-Epoxy-1,4-diphenyl-1,4-butanedione (4440-98-6,82389-32-0,84269-42-1)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; In methanol; at 0 - 10 ℃;

Reference yield: 86.0%

(Z)-1,4-diphenylbut-2-ene-1,4-dione (959-27-3) → trans-2,3-Epoxy-1,4-diphenyl-1,4-butanedione (4440-98-6,82389-32-0,84269-42-1)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; In methanol; at 0 - 10 ℃;

Reference yield: 76.0%

1,4-diphenyl-but-2-ene-1,4-dione (4070-75-1) → (oxirane-2,3-diyl)bis(phenylmethanone) (4440-98-6)

Guidance literature:

With urea hydrogen peroxide adduct; sodium hydroxide; In ethanol; water; at 20 ℃; for 6h;

DOI:10.1080/00397910903372333

upstream raw materials:

(Z)-1,4-diphenylbut-2-ene-1,4-dione

1,4-diphenylbut-2-ene-1,4-dione

((2S,3R)-oxirane-2,3-diyl)bis(phenylmethanone)

phenylglyoxal hydrate

Downstream raw materials:

1,4-diphenyl-2-hydroxy-1,4-butanedione

phenacylacetophenone

2,5-diphenyl-2-ethoxy-3(2H)-furanone

3,4-dichloro-2,5-diphenyl-furan

Refernces

• 1、 Jaszczewska-Adamczak, Joanna A.,Mlynarski, Jacek. "Asymmetric Epoxidation of Enones Promoted by Dinuclear Magnesium Catalyst". supporting information. p. 4247 - 4255. Retrieved 2021/07/17.
• 2、 Mahmoodi, Nosrat O.,Yazdanbakhsh, Mohammad R.,Ghanbari, Fateme. "Epoxidation of 1,4-diaroyl ethene derivatives in the presence of UHP or H2O2". experimental part. p. 3181 - 3185. Retrieved 2010/11/20.