501-16-6,MFCD00004392
Catalog No.:AA00D7VZ

501-16-6 | (E)-3-(3,4-Dihydroxyphenyl)acrylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
99%
1 week  
$158.00   $111.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D7VZ
Chemical Name:
(E)-3-(3,4-Dihydroxyphenyl)acrylic acid
CAS Number:
501-16-6
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00004392
SMILES:
C1=CC(=C(C=C1C=CC(=O)O)O)O
Properties
Computed Properties
 
Complexity:
212  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Liu,Yuanlin;Mo,Hui;Zhang,Kun;Yin,Meili;Yuan,Sheng;Li,Yanbing;Li,Yifang;Zhu,Wenda;Fan,Yiping;Zeng,Yancong;Kurihara,Hiroshi;He,Rongrong;Chen,Heru[BioorganicChemistry,2022,vol.120]

[2]SampathKumar;SubbaReddy;ThirupathiReddy;Srinivas;Yadav[OrganicPreparationsandProceduresInternational,2000,vol.32,#1,p.81-83]

[3]Gür,ZehraTuğçe;Şenol,FatmaSezer;Shekfeh,Suhaib;Orhan,İlkayErdoğan;Banoğlu,Erden;Çalişkan,Burcu[Lettersindrugdesignanddiscovery,2018,vol.16,#1,p.36-44]

[4]Xia,Chun-nian;Li,Hai-bo;liu,Feng;Hu,Wei-xiao[BioorganicandMedicinalChemistryLetters,2008,vol.18,#24,p.6553-6557]

[5]Vorsatz[JournalfurpraktischeChemie(Leipzig1954),1936,vol.<2>145,p.265,268]

[6]Buecking,W.[Diss.<Leipzig1928>S.50,51]

[7]Locationinpatent:schemeortableWu,Zhengrong;Zheng,Lifang;Li,Yang;Su,Feng;Yue,Xiaoxuan;Tang,Wei;Ma,Xiaoyan;Nie,Junyu;Li,Hongyu[FoodChemistry,2012,vol.134,#2,p.1128-1131]

[8]Chen,Hongfei;Li,Guoning;Zhan,Peng;Li,Hong;Wang,Shouxun;Liu,Xinyong[MedChemComm,2014,vol.5,#6,p.711-718]

[9]Wu,Zheng-Rong;Liu,Jian;Li,Jian-Ying;Zheng,Li-Fang;Li,Yang;Wang,Xing;Xie,Qing-Jian;Wang,Ai-Xia;Li,Ying-Hui;Liu,Rong-Hui;Li,Hong-Yu[EuropeanJournalofMedicinalChemistry,2014,vol.85,p.778-783]

[10]Chen,Gaozhi;Zhang,Yali;Liu,Xing;Fang,Qilu;Wang,Zhe;Fu,Lili;Liu,Zhiguo;Wang,Yi;Zhao,Yunjie;Li,Xiaokun;Liang,Guang[JournalofMedicinalChemistry,2016,vol.59,#6,p.2436-2451]

[11]Chen,Lingfeng;Jin,Yiyi;Chen,Hongjin;Sun,Chuchu;Fu,Weitao;Zheng,Lulu;Lu,Min;Chen,Pengqin;Chen,Gaozhi;Zhang,Yali;Liu,Zhiguo;Wang,Yi;Song,Zengqiang;Liang,Guang[EuropeanJournalofMedicinalChemistry,2018,vol.143,p.361-375]

[12]CurrentPatentAssignee:XUZHOUB&CCHEMICALCOLTD-CN108129318,2018,ALocationinpatent:Paragraph0074;0097;0107;0109

[13]Du,Fangyu;Zhou,Qifan;Fu,Xiaoxiao;Shi,Yajie;Chen,Yuanguang;Fang,Wuhong;Yang,Jingyu;Chen,Guoliang[RSCAdvances,2019,vol.9,#5,p.2498-2508]

[14]Cui,Man-Ying;Xiao,Meng-Wu;Xu,Lv-Jie;Chen,Yun;Liu,Ai-Lin;Ye,Jiao;Hu,Ai-Xi[ArchivderPharmazie,2020,vol.353,#1]

[15]Gong,Pei-Xue;Xu,Fangning;Cheng,Lu;Gong,Xu;Zhang,Jie;Gu,Wei-Jin;Han,Wei[ChemicalCommunications,2021,vol.57,#48,p.5905-5908]

[1]Lamidey,Anne-Marie;Fernon,Lionel;Pouysegu,Laurent;Delattre,Charlotte;Quideau,Stephane;Pardon,Patrick[HelveticaChimicaActa,2002,vol.85,#8,p.2328-2334]

331-39-5    10597-60-1   
(2E)-3-(3,4-dihydroxyphenyl)-2-propenoicacid2-(3,4-dihydroxyphenyl)ethylester 

[1]Takao,Koichi;Toda,Kazuhiro;Saito,Takayuki;Sugita,Yoshiaki[ChemicalandPharmaceuticalBulletin,2017,vol.65,#11,p.1020-1027]

[2]CurrentPatentAssignee:UNIVTONGHUANORMAL-CN109400432,2019,ALocationinpatent:Paragraph0055-0059

[3]Zang,Hao;Xu,Qian;Zhang,Luyun;Xia,Guangqing;Sun,Jiaming;Zhu,Junyi[JournaloftheChemicalSocietyofPakistan,2020,vol.42,#1,p.109-119]

[4]Locationinpatent:experimentalpartChapado,Laura;Linares-Palomino,PabloJ.;Salido,Sofia;Altarejos,Joaquin;Rosado,JuanA.;Salido,GinesM.[BioorganicChemistry,2010,vol.38,#3,p.108-114]

[5]Song,MinKyung;Cho,ARa;Sim,Geunyoung;Ahn,Joong-Hoon[JournalofAgriculturalandFoodChemistry,2019,vol.67,#7,p.2028-2035]

331-39-5    557795-19-4   
sunitinibcaffeate 

[1]Patent:US2015/25252,2015,A1.Locationinpatent:Paragraph0151-0155

[1]Oyama,Kin-Ichi;Watanabe,Noriyuki;Yamada,Tomomi;Suzuki,Masako;Sekiguchi,Yukiko;Kondo,Tadao;Yoshida,Kumi[Tetrahedron,2015,vol.71,#20,p.3120-3130]

Literature
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SDS
Tags:501-16-6 Molecular Formula|501-16-6 MDL|501-16-6 SMILES|501-16-6 (E)-3-(3,4-Dihydroxyphenyl)acrylic acid
Catalog No.: AA00D7VZ
501-16-6,MFCD00004392
501-16-6 | (E)-3-(3,4-Dihydroxyphenyl)acrylic acid
Pack Size: 100mg
Purity: 99%
1 week
$158.00 $111.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00D7VZ
Chemical Name: (E)-3-(3,4-Dihydroxyphenyl)acrylic acid
CAS Number: 501-16-6
Molecular Formula: C9H8O4
Molecular Weight: 180.1574
MDL Number: MFCD00004392
SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
Properties
Complexity: 212  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
Downstream Synthesis Route
141-82-2    139-85-5    331-39-5 

[1]Liu,Yuanlin;Mo,Hui;Zhang,Kun;Yin,Meili;Yuan,Sheng;Li,Yanbing;Li,Yifang;Zhu,Wenda;Fan,Yiping;Zeng,Yancong;Kurihara,Hiroshi;He,Rongrong;Chen,Heru[BioorganicChemistry,2022,vol.120]

[2]SampathKumar;SubbaReddy;ThirupathiReddy;Srinivas;Yadav[OrganicPreparationsandProceduresInternational,2000,vol.32,#1,p.81-83]

[3]Gür,ZehraTuğçe;Şenol,FatmaSezer;Shekfeh,Suhaib;Orhan,İlkayErdoğan;Banoğlu,Erden;Çalişkan,Burcu[Lettersindrugdesignanddiscovery,2018,vol.16,#1,p.36-44]

[4]Xia,Chun-nian;Li,Hai-bo;liu,Feng;Hu,Wei-xiao[BioorganicandMedicinalChemistryLetters,2008,vol.18,#24,p.6553-6557]

[5]Vorsatz[JournalfurpraktischeChemie(Leipzig1954),1936,vol.<2>145,p.265,268]

[6]Buecking,W.[Diss.<Leipzig1928>S.50,51]

[7]Locationinpatent:schemeortableWu,Zhengrong;Zheng,Lifang;Li,Yang;Su,Feng;Yue,Xiaoxuan;Tang,Wei;Ma,Xiaoyan;Nie,Junyu;Li,Hongyu[FoodChemistry,2012,vol.134,#2,p.1128-1131]

[8]Chen,Hongfei;Li,Guoning;Zhan,Peng;Li,Hong;Wang,Shouxun;Liu,Xinyong[MedChemComm,2014,vol.5,#6,p.711-718]

[9]Wu,Zheng-Rong;Liu,Jian;Li,Jian-Ying;Zheng,Li-Fang;Li,Yang;Wang,Xing;Xie,Qing-Jian;Wang,Ai-Xia;Li,Ying-Hui;Liu,Rong-Hui;Li,Hong-Yu[EuropeanJournalofMedicinalChemistry,2014,vol.85,p.778-783]

[10]Chen,Gaozhi;Zhang,Yali;Liu,Xing;Fang,Qilu;Wang,Zhe;Fu,Lili;Liu,Zhiguo;Wang,Yi;Zhao,Yunjie;Li,Xiaokun;Liang,Guang[JournalofMedicinalChemistry,2016,vol.59,#6,p.2436-2451]

[11]Chen,Lingfeng;Jin,Yiyi;Chen,Hongjin;Sun,Chuchu;Fu,Weitao;Zheng,Lulu;Lu,Min;Chen,Pengqin;Chen,Gaozhi;Zhang,Yali;Liu,Zhiguo;Wang,Yi;Song,Zengqiang;Liang,Guang[EuropeanJournalofMedicinalChemistry,2018,vol.143,p.361-375]

[12]CurrentPatentAssignee:XUZHOUB&CCHEMICALCOLTD-CN108129318,2018,ALocationinpatent:Paragraph0074;0097;0107;0109

[13]Du,Fangyu;Zhou,Qifan;Fu,Xiaoxiao;Shi,Yajie;Chen,Yuanguang;Fang,Wuhong;Yang,Jingyu;Chen,Guoliang[RSCAdvances,2019,vol.9,#5,p.2498-2508]

[14]Cui,Man-Ying;Xiao,Meng-Wu;Xu,Lv-Jie;Chen,Yun;Liu,Ai-Lin;Ye,Jiao;Hu,Ai-Xi[ArchivderPharmazie,2020,vol.353,#1]

[15]Gong,Pei-Xue;Xu,Fangning;Cheng,Lu;Gong,Xu;Zhang,Jie;Gu,Wei-Jin;Han,Wei[ChemicalCommunications,2021,vol.57,#48,p.5905-5908]

501-16-6    70831-56-0 

[1]Lamidey,Anne-Marie;Fernon,Lionel;Pouysegu,Laurent;Delattre,Charlotte;Quideau,Stephane;Pardon,Patrick[HelveticaChimicaActa,2002,vol.85,#8,p.2328-2334]

331-39-5    10597-60-1   
(2E)-3-(3,4-dihydroxyphenyl)-2-propenoicacid2-(3,4-dihydroxyphenyl)ethylester 

[1]Takao,Koichi;Toda,Kazuhiro;Saito,Takayuki;Sugita,Yoshiaki[ChemicalandPharmaceuticalBulletin,2017,vol.65,#11,p.1020-1027]

[2]CurrentPatentAssignee:UNIVTONGHUANORMAL-CN109400432,2019,ALocationinpatent:Paragraph0055-0059

[3]Zang,Hao;Xu,Qian;Zhang,Luyun;Xia,Guangqing;Sun,Jiaming;Zhu,Junyi[JournaloftheChemicalSocietyofPakistan,2020,vol.42,#1,p.109-119]

[4]Locationinpatent:experimentalpartChapado,Laura;Linares-Palomino,PabloJ.;Salido,Sofia;Altarejos,Joaquin;Rosado,JuanA.;Salido,GinesM.[BioorganicChemistry,2010,vol.38,#3,p.108-114]

[5]Song,MinKyung;Cho,ARa;Sim,Geunyoung;Ahn,Joong-Hoon[JournalofAgriculturalandFoodChemistry,2019,vol.67,#7,p.2028-2035]

331-39-5    557795-19-4   
sunitinibcaffeate 

[1]Patent:US2015/25252,2015,A1.Locationinpatent:Paragraph0151-0155

501-16-6    906-33-2 

[1]Oyama,Kin-Ichi;Watanabe,Noriyuki;Yamada,Tomomi;Suzuki,Masako;Sekiguchi,Yukiko;Kondo,Tadao;Yoshida,Kumi[Tetrahedron,2015,vol.71,#20,p.3120-3130]

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