1,4-Dibenzoylbutane

Base Information

• Chemical Name: 1,4-Dibenzoylbutane
• CAS No.: 3375-38-0
• Molecular Formula: C18H18O2
• Molecular Weight: 266.34
• Hs Code.: 2914399090
• European Community (EC) Number: 222-166-5
• NSC Number: 105666,22675,1159
• DSSTox Substance ID: DTXSID20187423
• Nikkaji Number: J105.083D
• Wikidata: Q72473234
• ChEMBL ID: CHEMBL1881730
• Mol file: 3375-38-0.mol

Synonyms:1,4-Dibenzoylbutane;3375-38-0;1,6-Diphenylhexane-1,6-dione;1,6-Diphenyl-1,6-hexanedione;Butane, 1,4-dibenzoyl-;1,6-Hexanedione, 1,6-diphenyl-;MLS002637553;1,6-hexanedione;EINECS 222-166-5;Butane,4-dibenzoyl-;1, 1,6-diphenyl-;1,6-diphenyl-hexane-1,6-dione;NSC1159;1,4-dibenzoylbutan;1,4-Dibenzoyl-butane;1,4-Dibenzoylbutane, 97%;SCHEMBL7068671;CHEMBL1881730;DTXSID20187423;HMS3094D09;AMY25146;NSC 1159;NSC-1159;NSC22675;MFCD00004761;NSC 22675;NSC-22675;NSC105666;AKOS008105092;NSC 105666;NSC-105666;AS-57184;SMR001547086;CS-0216438;D2773;FT-0652930;EN300-43087;T70789;J-019317;Z432090866;1,6-HEXANEDIONE,1,6-DIPHENYL 1,4-DIBENZOXYLBUTANE

Chemical Property of 1,4-Dibenzoylbutane

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 1.02E-07mmHg at 25°C
• Melting Point: 106-108 °C(lit.)
• Refractive Index: 1.56
• Boiling Point: 433.5 °C at 760 mmHg
• Flash Point: 161.9 °C
• PSA: 34.14000
• Density: 1.08g/cm³
• LogP: 4.31260
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 266.130679813
• Heavy Atom Count: 20
• Complexity: 277

Purity/Quality:

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

1,6-Diphenyl-1,6-hexanedione ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1,4-Dibenzoylbutane

There total 66 articles about 1,4-Dibenzoylbutane 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: 100.0%

Adipic acid dichloride (111-50-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1,4-dibenzoylbutane (3375-38-0)

Guidance literature:

With zinc(II) chloride; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1021/jo5006137

Reference yield: 100.0%

cis-1,2-Diphenylcyclohexane-1,2-diol (72930-73-5) → 1,4-dibenzoylbutane (3375-38-0)

Guidance literature:

With 2,6-di-tert-butyl-pyridine; tris(1,10-phenanthroline)iron(III); In acetonitrile; at 20 ℃;

DOI:10.1039/a905728e

Reference yield: 96.6%

Adipic acid dichloride (111-50-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → phenyl(2-phenylcyclopent-2-en-1-yl)methanone (1601-09-8) + 1,4-dibenzoylbutane (3375-38-0)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1021/jo5006137

upstream raw materials:

adipic anhydride

benzene

1,4-bis-diazo-butane

benzaldehyde

Downstream raw materials:

1,6-diphenylhexane-1,6-diol

1,2-diphenylcyclohex-1-ene

cis-1,2-Diphenylcyclohexane-1,2-diol

1-Phenyl-2--cyclopent-1-en

Refernces

• 1、 Dekker et al.. "". . p. 2489. Retrieved 1975.
• 2、 Qi, Linjun,Li, Renhao,Yao, Xinrong,Zhen, Qianqian,Ye, Pengqing,Shao, Yinlin,Chen, Jiuxi. "Syntheses of Pyrroles, Pyridines, and Ketonitriles via Catalytic Carbopalladation of Dinitriles". supporting information. p. 1097 - 1108. Retrieved 2020/01/22.
• 3、 Zhang, Yong-Hui,Zhang, Wen-Wei,Zhang, Ze-Yu,Zhao, Kai,Loh, Teck-Peng. "Manganese-Catalyzed Ring-Opening Coupling Reactions of Cyclopropanols with Enones". . p. 5101 - 5105. Retrieved 2019/07/03.