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480-66-0,MFCD00149091
Catalog No.:AA003FKE

480-66-0 | 2',4',6'-Trihydroxyacetophenone

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5g
98%
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$9.00   $7.00
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10g
98%
in stock  
$14.00   $10.00
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25g
98%
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$24.00   $17.00
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100g
98%
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$84.00   $59.00
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500g
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003FKE
Chemical Name:
2',4',6'-Trihydroxyacetophenone
CAS Number:
480-66-0
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
MDL Number:
MFCD00149091
SMILES:
CC(=O)c1c(O)cc(cc1O)O
NSC Number:
54927
Properties
Properties
 
BP:
333.2 °C at 760 mmHg  
Form:
Solid  
MP:
219-221 °C(lit.)  
Refractive Index:
1.5090 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
168  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
1.1  

Upstream Synthesis Route

[1]JournalofOrganicChemistry,2010,vol.75,#2,p.353-358

[2]Patent:WO2016/118822,2016,A1,.Locationinpatent:Page/Pagecolumn28

[1]Proceedings-IndianAcademyofSciences,SectionA,1949,#30,p.107,112

[2]JournalofOrganicChemistry,2015,vol.80,#3,p.1632-1643

[1]Patent:US2005/282781,2005,A1,.Locationinpatent:Page/Pagecolumn10

[1]Patent:US2005/282781,2005,A1,.Locationinpatent:Page/Pagecolumn10

[1]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1984,#7,p.1511-1513

Downstream Synthesis Route

[1]Xiao,Li;Tan,Wenfei;Li,Yulin[SyntheticCommunications,1998,vol.28,#15,p.2861-2869]

[2]Morita,Chihiro;Kobayashi,Yukiko;Saito,Yohei;Miyake,Katsunori;Tokuda,Harukuni;Suzuki,Nobutaka;Ichiishi,Eiichiro;Lee,Kuo-Hsiung;Nakagawa-Goto,Kyoko[JournalofNaturalProducts,2016,vol.79,#11,p.2890-2897]

[3]CurrentPatentAssignee:BEIJINGSHENOGENPHARMAGROUP-EP2660240,2013,A1Locationinpatent:Paragraph0090

[4]Riedl;Huebner[ChemischeBerichte,1957,vol.90,p.2870,2875]

[1]Mahesh;Neelakantan;Seshadri[JournalOfScientificandIndustrialResearch,1956,vol.15B,p.287,290][Chem.Abstr.,1957,p.3500]

[2]Kavvadias,Dominique;Sand,Philipp;Youdim,KureshA.;Qaiser,M.Zeeshan;Rice-Evans,Catherine;Baur,Roland;Sigel,Erwin;Rausch,Wolf-Dieter;Riederer,Peter;Schreier,Peter[BritishJournalofPharmacology,2004,vol.142,#5,p.811-820]

[3]Tsukayama,Masao;Kawamura,Yasuhiko;Tamaki,Hiroto;Kubo,Tomoya;Horie,Tokunaru[BulletinoftheChemicalSocietyofJapan,1989,vol.62,#3,p.826-832]

[4]Konishi,Fukuko;Esaki,Sachiko;Kamiya,Shintaro[AgriculturalandBiologicalChemistry,1983,vol.47,#6,p.1419-1430]

[5]Xia,Likai;Lee,YongRok[BulletinoftheKoreanChemicalSociety,2012,vol.33,#6,p.2087-2090]

[6]Wei,Yu;Tang,Jinghua;Cong,Xuefeng;Zeng,Xiaoming[GreenChemistry,2013,vol.15,#11,p.3165-3169]

[7]CurrentPatentAssignee:THEJOHNSHOPKINSUNIVERSITY-WO2010/19861,2010,A1

[8]Liu,Jianwen;Ma,Lei;Shi,Ximeng;Yin,Huanhuan;Zhao,Yuyu;Zhou,Licheng[Lettersindrugdesignanddiscovery,2020,vol.17,#10,p.1270-1282]

[9]Aigner,Ludwig;Bieler,Lara;Couillard-Despres,Sebastien;Priglinger,Eleni;Riepl,HerbertM.;Urmann,Corinna[JournalofNaturalProducts,2021,vol.84,#10,p.2675-2682]

[1]CurrentPatentAssignee:TSINGHUAUNIVERSITY(CHINA)-CN109293493,2019,ALocationinpatent:Paragraph0845;0846;0849;0850

[2]Murti;Seshadri[Proceedings-IndianAcademyofSciences,SectionA,1949,#30,p.107,112]

[3]Liu,Jie;Li,Zhanchao;Tong,Pei;Xie,Zhixiang;Zhang,Yuan;Li,Ying[JournalofOrganicChemistry,2015,vol.80,#3,p.1632-1643]

[1]Lichitsky;Shorunov;Osipov;Komogortsev;Dudinov;Krayushkin[RussianChemicalBulletin,2017,vol.66,#5,p.886-890][Izv.Akad.Nauk,Ser.Khim.,2017,#5,p.886-890,5]

[2]Shah;Shah[JournaloftheChemicalSociety,1938,p.1424,1427]

[3]Deanetal.[JournaloftheChemicalSociety,1954,p.4565,4570]

[4]Shah;Shah[JournaloftheChemicalSociety,1938,p.1424,1427]

[1]Huang,Chusheng;Zhang,Zhe;Li,Shuhua;Li,Yulin[JournalofChemicalResearch-PartS,1999,#2,p.148-149]

[2]Fang,Wei-Shuo;Sun,De-yang;Yang,Shuang;Cheng,Chen;Moschke,Katrin;Li,Tianqi;Sun,Shanshan;Lichtenthaler,StefanF.;Huang,Jian;Wang,Yinghong[BioorganicChemistry,2019,vol.92]

[3]Jain,A.C.;Bambah,P.K.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1987,vol.26,#1-12,p.488-490]

[4]Locationinpatent:schemeortableSagrera,Gabriel;Seoane,Gustavo[Synthesis,2010,#16,p.2776-2786]

[5]Locationinpatent:experimentalpartLiu,Guo-Biao;Xu,Jian-Liang;Geng,Mei;Xu,Rui;Hui,Rong-Rong;Zhao,Jian-Wei;Xu,Qiang;Xu,Hong-Xi;Li,Jian-Xin[BioorganicandMedicinalChemistry,2010,vol.18,#8,p.2864-2871]

[6]Gao,Zhe;Ma,Yuxiang;Zhao,Dan;Zhang,Xiong;Zhou,Hang;Liu,Hailiang;Zhou,Yang;Wu,Xuefeng;Shen,Yan;Sun,Yang;Li,Jianxin;Wu,Xudong;Xu,Qiang[BiochemicalPharmacology,2014,vol.92,#2,p.358-368]

[7]CurrentPatentAssignee:SRIINTERNATIONALINC-US2003/229136,2003,A1Locationinpatent:Page18

[8]CurrentPatentAssignee:SRIINTERNATIONALINC-US2004/29914,2004,A1

[9]CurrentPatentAssignee:SRIINTERNATIONALINC-US2004/110790,2004,A1Locationinpatent:Page12

[10]Gan,Li-She;Zeng,Lin-Wei;Li,Xiang-Rong;Zhou,Chang-Xin;Li,Jie[BioorganicandMedicinalChemistryLetters,2017,vol.27,#6,p.1441-1445]

[11]Li,Jie;Yang,Fan;Zeng,Lin-Wei;Zhang,Fang-Min;Zhou,Chang-Xin;Gan,Li-She[JournalofNaturalProducts,2021,vol.84,#4,p.1385-1391]

[12]Zhang,Mingbao;ErikJagdmannJr.;VanZandt,Michael;Beckett,Paul;Schroeter,Hagen[TetrahedronAsymmetry,2013,vol.24,#7,p.362-373]

[13]Dewick,PaulM.[SyntheticCommunications,1981,vol.11,#10,p.853-858]

[14]Murti;Seshadri[Proceedings-IndianAcademyofSciences,SectionA,1949,vol.29,p.1,7]

[15]Sethi,M.L.;Taneja,S.C.;Dhar,K.L.;Atal,C.K.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1981,vol.20,#9,p.770-772]

[16]Tsukayama,Masao;Kawamura,Yasuhiko;Tamaki,Hiroto;Kubo,Tomoya;Horie,Tokunaru[BulletinoftheChemicalSocietyofJapan,1989,vol.62,#3,p.826-832]

[17]Raguenet,Helene;Barron,Denis;Mariotte,Anne-Marie[Heterocycles,1996,vol.43,#2,p.277-285]Tillekeratne;Sherette;Grossman;Hupe;Hupe;Hudson[BioorganicandMedicinalChemistryLetters,2001,vol.11,#20,p.2763-2767]Vasselin,DavidA.;Westwell,AndrewD.;Matthews,CharlesS.;Bradshaw,TraceyD.;Stevens,MalcolmF.G.[JournalofMedicinalChemistry,2006,vol.49,#13,p.3973-3981]

Literature

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Tags:480-66-0 Molecular Formula|480-66-0 MDL|480-66-0 SMILES|480-66-0 2',4',6'-Trihydroxyacetophenone