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6302-55-2,MFCD00463137
Catalog No.:AA00EADO

6302-55-2 | 1-(4-Chlorophenyl)butane-1,3-dione

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250mg
97%
in stock  
$103.00   $73.00
- +
1g
97%
in stock  
$245.00   $171.00
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5g
97%
in stock  
$710.00   $497.00
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10g
97%
in stock  
$1,075.00   $753.00
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25g
97%
in stock  
$2,140.00   $1,498.00
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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:
AA00EADO
Chemical Name:
1-(4-Chlorophenyl)butane-1,3-dione
CAS Number:
6302-55-2
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
MDL Number:
MFCD00463137
SMILES:
O=C(c1ccc(cc1)Cl)CC(=O)C
NSC Number:
42232
Properties
Properties
 
BP:
312 °C at 760 mmHg  

Computed Properties
 
Complexity:
205  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2.2  

Downstream Synthesis Route

[1]Gupta;Kumar;Gautam[JournalofHeterocyclicChemistry,1984,vol.21,#6,p.1713-1715]

[2]Gupta,R.R.;Kumar,M.;Kumar,Rakesh;Gautam,R.K.[IndianJournalofChemistry,SectionA:Inorganic,Physical,TheoreticalandAnalytical,1986,vol.25,#1,p.62-63]

[1]Locationinpatent:experimentalpartGautam,Vertika;Chawla,Viney;Sonar,PankajK.;Saraf,ShailendraK.[E-JournalofChemistry,2010,vol.7,#4,p.1190-1195]

[2]Mulina,OlgaM.;Pirgach,DmitryA.;Nikishin,GennadyI.;Terent'ev,AlexanderO.[EuropeanJournalofOrganicChemistry,2019,vol.2019,#26,p.4179-4188]

[3]Sun,Xi;Li,Pinhua;Zhang,Xiuli;Wang,Lei[OrganicLetters,2014,vol.16,#8,p.2126-2129]

[4]An,Zhenyu;Liu,Yafeng;Yan,Rulong;Zhao,Pengbo[AdvancedSynthesisandCatalysis,2021,vol.363,#13,p.3240-3244]

[5]Cravero,RaquelM.;Gonzalez-Sierra,Manuel;Olivieri,AlejandroC.[JournaloftheChemicalSociety.PerkintransactionsII,1993,#6,p.1067-1071]

[6]Hollick,JonathanJ.;Rigoreau,LaurentJ.M.;Cano-Soumillac,Celine;Cockcroft,Xiaoling;Curtin,NicolaJ.;Frigerio,Mark;Golding,BernardT.;Guiard,Sophie;Hardcastle,IanR.;Hickson,Ian;Hummersone,MarcG.;Menear,KeithA.;Martin,NiallM.B.;Matthews,Ian;Newell,DavidR.;Ord,Rachel;Richardson,CarolineJ.;Smith,GraemeC.M.;Griffin,RogerJ.[JournalofMedicinalChemistry,2007,vol.50,#8,p.1958-1972]

[7]Geng,Hulling;Zhou,Le;Wu,Wenjun;Zhang,Weicheng;Chen,Jian;Hou,Guohua;Zou,Yaping;Zhang,Xumu[AngewandteChemie-InternationalEdition,2009,vol.48,#33,p.6052-6054][AngewandteChemie,2009,vol.121,#33,p.6168-6170]

[8]CurrentPatentAssignee:TORRENTINVESTMENTSPRIVATELIMITED-WO2007/100295,2007,A1Locationinpatent:Page/Pagecolumn308

[9]Geng,Huiling;Huang,Kexuan;Sun,Tian;Li,Wei;Zhang,Xiaowei;Zhou,Le;Wu,Wenjun;Zhang,Xumu[JournalofOrganicChemistry,2011,vol.76,#1,p.332-334]

[10]Fan,Xuesen;He,Yan;Cui,Liangyan;Guo,Shenghai;Wang,Jianji;Zhang,Xinying[EuropeanJournalofOrganicChemistry,2012,#4,p.673-677]

[11]CurrentPatentAssignee:ALMIRALLSA-WO2012/69175,2012,A1Locationinpatent:Page/Pagecolumn51

[12]CurrentPatentAssignee:ALMIRALLSA-EP2457900,2012,A1Locationinpatent:Page/Pagecolumn32

[13]CurrentPatentAssignee:LANZHOUUNIVERSITY-CN108203408,2018,ALocationinpatent:Paragraph0024

[14]Marichev,KostiantynO.;Wang,Yi;Carranco,AlejandraM.;Garcia,EstevanC.;Yu,Zhi-Xiang;Doyle,MichaelP.[ChemicalCommunications,2018,vol.54,#68,p.9513-9516]

[15]Wu,Dehua;Fang,Xinyi;Song,Jintong;Qu,Lang;Zhou,Xiangge;Xiang,Haifeng;Wang,Jun;Liu,Jin[DyesandPigments,2021,vol.184]

[16]Yao,Haiyan;Guo,Quanping;Wang,Mengran;Wang,Rui;Xu,Zhaoqing[BioorganicandMedicinalChemistry,2021,vol.46]

[17]Hou,Ming;Zhang,Zhide;Lai,Xiaojing;Zong,Qianshou;Jiang,Xinpeng;Guan,Meng;Qi,Rui;Qiu,Guanyinsheng[OrganicLetters,2022,vol.24,#23,p.4114-4118]

[18]Chen,Wenxi;Mao,Yan;Wang,Min;Ling,Fei;Li,Changchang;Chen,Zhangpei;Yao,Jinzhong[OrganicandBiomolecularChemistry,2022,vol.21,#4,p.775-782]

[19]Feng,Tong;Liu,Qing;Xu,Zhi-Yuan;Li,Hui-Ting;Wei,Wei;Shi,Rong-Chuan;Zhang,Li;Cao,Yi-Ming;Liu,Shang-Zhong[Molecules,2023,vol.28,#3]

[1]Hollick,JonathanJ.;Rigoreau,LaurentJ.M.;Cano-Soumillac,Celine;Cockcroft,Xiaoling;Curtin,NicolaJ.;Frigerio,Mark;Golding,BernardT.;Guiard,Sophie;Hardcastle,IanR.;Hickson,Ian;Hummersone,MarcG.;Menear,KeithA.;Martin,NiallM.B.;Matthews,Ian;Newell,DavidR.;Ord,Rachel;Richardson,CarolineJ.;Smith,GraemeC.M.;Griffin,RogerJ.[JournalofMedicinalChemistry,2007,vol.50,#8,p.1958-1972]

[1]CurrentPatentAssignee:BAYERAG-US2010/160164,2010,A1Locationinpatent:Page/Pagecolumn34

[2]CurrentPatentAssignee:BAYERAG-US2011/257014,2011,A1Locationinpatent:Page/Pagecolumn38

[3]CurrentPatentAssignee:BAYERAG-US2010/197501,2010,A1Locationinpatent:Page/Pagecolumn36

[1]Wang,Xiaohu;Wang,Yi;Yuan,Yu;Xing,Chun-Hui[Tetrahedron,2014,vol.70,#12,p.2195-2202]

Literature
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Tags:6302-55-2 Molecular Formula|6302-55-2 MDL|6302-55-2 SMILES|6302-55-2 1-(4-Chlorophenyl)butane-1,3-dione