1,3-Dibenzoylpropane

Base Information

• Chemical Name: 1,3-Dibenzoylpropane
• CAS No.: 6263-83-8
• Molecular Formula: C17H16O2
• Molecular Weight: 252.313
• Hs Code.: 29143900
• European Community (EC) Number: 870-751-4
• NSC Number: 46678
• UNII: EO7HSL24EN
• DSSTox Substance ID: DTXSID9064180
• Nikkaji Number: J421.803E
• Wikidata: Q72463552
• Mol file: 6263-83-8.mol

Synonyms:1,3-Dibenzoylpropane;6263-83-8;1,5-diphenylpentane-1,5-dione;1,5-Diphenyl-1,5-pentanedione;1,5-Pentanedione, 1,5-diphenyl-;1,5-Diphenyl-1,5-pentadione;EO7HSL24EN;NSC 46678;NSC-46678;1,5-pentadione;NSC46678;Maybridge3_005349;UNII-EO7HSL24EN;Oprea1_558551;1,3-Dibenzoylpropane, 98%;SCHEMBL1052631;1,5-diphenyl-1,5-pentandione;DTXSID9064180;1,5-diphenyl-pentane-1,5-dione;HMS1446D03;CCG-50348;MFCD00051401;AKOS015840576;IDI1_016736;BS-50678;FT-0606619;E78130;SR-01000639732-1

Chemical Property of 1,3-Dibenzoylpropane

Chemical Property:

• Appearance/Colour: white to light beige crystalline powder
• Vapor Pressure: 2.56E-07mmHg at 25°C
• Melting Point: 66-68 °C(lit.)
• Refractive Index: 1.567
• Boiling Point: 421.7 °C at 760 mmHg
• Flash Point: 157.7 °C
• PSA: 34.14000
• Density: 1.097 g/cm³
• LogP: 3.92250
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 252.115029749
• Heavy Atom Count: 19
• Complexity: 266

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Dibenzoylpropane 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CCCC(=O)C2=CC=CC=C2
• Uses: 1,3-Dibenzoylpropane may be used in the electrochemical synthesis of cis-1,2-diphenyl-1,2-cyclopentanediol, via reduction in acetonitrile.

Technology Process of 1,3-Dibenzoylpropane

There total 99 articles about 1,3-Dibenzoylpropane 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: 98.0%

2-(3-benzoylpropyl)-2-phenyl-1,3-dioxolane (133549-24-3) → 1,5-diphenyl-1,5-pentanedione (6263-83-8)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1021/jo00012a012

Reference yield: 96.0%

methanol (67-56-1) + 1,3-diphenylpropanedione (120-46-7,61346-73-4) → benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 1,5-diphenyl-1,5-pentanedione (6263-83-8)

Guidance literature:

With formaldehyd; hydroxocobalt(III) Schiff base; at 60 ℃; for 1.5h;

DOI:10.1016/00404-0399(50)1074R-

Reference yield: 94.0%

2-(dimethyl(oxo)-λ6-sulfaneylidene)-1-phenylethan-1-one (20718-17-6) + 1-phenylcyclopropan-1-ol (29526-96-3) → 1,5-diphenyl-1,5-pentanedione (6263-83-8)

Guidance literature:

With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; In 2,2,2-trifluoroethanol; at 80 ℃; for 30h; Inert atmosphere;

DOI:10.1055/a-1588-0974

upstream raw materials:

glutaric anhydride,

benzene

1,2-diphenyl-cyclopentane

5-bromo-1,5-diphenyl-pentan-1-one

Downstream raw materials:

1,2-diphenyl-cyclopentane-1,2-diol

1,5-diphenyl-pentane-1,5-diol

meso-1,5-diphenyl-pentane-1,5-diol

(-)-(S,S)-1,5-diphenylpentane-1,5-diol

Refernces

• 1、 Lou, Chenhao,Wang, Xin,Lv, Leiyang,Li, Zhiping. "Iron-Catalyzed Ring-Opening Reactions of Cyclopropanols with Alkenes and TBHP: Synthesis of 5-Oxo Peroxides". . p. 7608 - 7612. Retrieved 2021/10/02.
• 2、 Samser, Shaikh,Biswal, Priyabrata,Meher, Sushanta Kumar,Venkatasubbaiah, Krishnan. "Palladium mediated one-pot synthesis of 3-aryl-cyclohexenones and 1,5-diketones from allyl alcohols and aryl ketones". . p. 1386 - 1394. Retrieved 2021/02/27.