Home Other Building Blocks 6781-42-6
6781-42-6,MFCD00008740
Catalog No.:AA003DFS

6781-42-6 | 1,3-Diacetylbenzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$9.00   $7.00
- +
5g
97%
in stock  
$29.00   $21.00
- +
25g
98%
in stock  
$125.00   $88.00
- +
100g
98%
in stock  
$406.00   $284.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003DFS
Chemical Name:
1,3-Diacetylbenzene
CAS Number:
6781-42-6
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00008740
SMILES:
CC(=O)c1cccc(c1)C(=O)C
Properties
Properties
 
BP:
280.3°C at 760 mmHg  
Form:
Liquid  
MP:
28-32 °C  
Refractive Index:
1.5485-1.5505  
Solubility:
Soluble in ethanol, benzene, chloroform.  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
176  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.4  

Downstream Synthesis Route

[1]Li,Zhibin;Zhang,Yan;Li,Kuiliang;Zhou,Zhenghong;Zha,Zhenggen;Wang,Zhiyong[ScienceChinaChemistry,2021,vol.64,#12,p.2134-2141]

[2]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;USTC(in:CAS)-CN107011133,2017,ALocationinpatent:Paragraph0084;0085;0088;0089

[3]Liu,Jie;Hu,Kang-Fei;Qu,Jian-Ping;Kang,Yan-Biao[OrganicLetters,2017,vol.19,#20,p.5593-5596]

[4]Riemschneider[GazzettaChimicaItaliana,1947,vol.77,p.607,610]

[1]Aakeroey,ChristerB.;Sinha,AbhijeetS.[RSCAdvances,2013,vol.3,#22,p.8168-8171]

[2]Ruggli;Staub[HelveticaChimicaActa,1936,vol.19,p.962,971]

[3]Ruggli;Gassenmeier[HelveticaChimicaActa,1939,vol.22,p.496,508]

[1]Locationinpatent:schemeortableWang,Hong-Bo;Wisner,JamesA.;Jennings,MichaelC.[BeilsteinJournalofOrganicChemistry,2010,vol.6]

[2]Revuelto,Alejandro;DeLucio,Héctor;García-Soriano,JuanCarlos;Sánchez-Murcia,PedroA.;Gago,Federico;Jiménez-Ruiz,Antonio;Camarasa,María-José;Velázquez,Sonsoles[JournalofMedicinalChemistry,2021,vol.64,#9,p.6137-6160]

[3]Esumi,Naoto;Suzuki,Kensuke;Nishimoto,Yoshihiro;Yasuda,Makoto[OrganicLetters,2016,vol.18,#21,p.5704-5707]

[4]Ruggli;Theilheimer[HelveticaChimicaActa,1941,vol.24,p.899,910]

[5]Koch,Federico;Stolte,Matthias;Zitzler-Kunkel,André;Bialas,David;Steinbacher,Andreas;Brixner,Tobias;Würthner,Frank[PhysicalChemistryChemicalPhysics,2017,vol.19,#9,p.6368-6378]

α,α'-dimethyl-1,3-benzenedimethanol 
  6781-42-6 

[1]CurrentPatentAssignee:SHANGHAIRECORDCHEMTECH-CN113292404,2021,ALocationinpatent:Paragraph0046;0048;0055-0058;0062-0075

[2]Ruggli;Theilheimer[HelveticaChimicaActa,1941,vol.24,p.899,910]

[3]Qu,Peiyuan;Kuepfert,Michael;Jockusch,Steffen;Weck,Marcus[ACSCatalysis,2019,vol.9,#4,p.2701-2706]

[1]Hasegawa,Masaki;Saigo,Kazuhiko;Mori,Toru;Uno,Hirofuni;Nohara,Masao;Nakanishi,Hachiro[JournaloftheAmericanChemicalSociety,1985,vol.107,#9,p.2788-2793]

[2]Ruggli;Gassenmeier[HelveticaChimicaActa,1939,vol.22,p.496,508]

[3]Al-Omran,Fatima;Al-Awadi,Nouria;Edun,Mustafa[JournalofChemicalResearch,Miniprint,1994,#5,p.1026-1041]

Literature

Title: Metal self-recognition: a pathway to control the formation of dihelicates and mesocates.

Journal: Dalton transactions (Cambridge, England : 2003) 20121121

Title: Axonopathy-inducing 1,2-diacetylbenzene forms adducts with motor and cytoskeletal proteins required for axonal transport.

Journal: Neurochemical research 20071201

Title: Synthesis and spectroscopic characterization of cationic mononuclear oxovanadium(IV) complexes with tetradentate Schiff bases as ligands.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20021001

Title: Amino acid and protein targets of 1,2-diacetylbenzene, a potent aromatic gamma-diketone that induces proximal neurofilamentous axonopathy.

Journal: Toxicology and applied pharmacology 20020815

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SDS
Tags:6781-42-6 Molecular Formula|6781-42-6 MDL|6781-42-6 SMILES|6781-42-6 1,3-Diacetylbenzene |Organic_Building_Blocks