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3934-86-9,MFCD00183269
Catalog No.:AA00BY4Y

3934-86-9 | 3,4-Dihydroxy-5-methoxybenzoic acid methyl ester

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1g
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$208.00   $145.00
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5g
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$522.00   $365.00
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25g
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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:
AA00BY4Y
Chemical Name:
3,4-Dihydroxy-5-methoxybenzoic acid methyl ester
CAS Number:
3934-86-9
Molecular Formula:
C9H10O5
Molecular Weight:
198.1727
MDL Number:
MFCD00183269
SMILES:
COC(=O)c1cc(OC)c(c(c1)O)O
NSC Number:
251664
Properties
Properties
 
BP:
391.7°C at 760 mmHg  
Form:
Solid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
205  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
1.2  

Downstream Synthesis Route

[1]JournalfurpraktischeChemie(Leipzig1954),1932,vol.<2>133,p.120,123,124

[2]BulletinoftheChemicalSocietyofJapan,1985,vol.58,p.346-351

[1]Pettit;Singh[CanadianJournalofChemistry,1987,vol.65,#10,p.2390-2396]

[2]CurrentPatentAssignee:JWPHARMACEUTICALDO.,LTD.-EP1073428,2004,B1Locationinpatent:Page20

[3]Aboutabl,MonaElsayed;Hassan,RashaMohamed;El-Azzouny,AidaAbdel-Sattar;Aboul-Enein,MohamedNabil;Abd-Allah,WalaaHamada[BioorganicChemistry,2019]

[4]Abd-Allah,WalaaHamada;Aboul-Enein,MohamedNabil;El-Azzouny,AidaAbdel-Sattar;Hassan,RashaMohamed;Salman,AsmaaMohamed[EuropeanJournalofPharmaceuticalSciences,2019,vol.139]

[5]Chang,Junbiao;Chen,Rongfeng;Guo,Ruiyun;Dong,Chunhong;Zhao,Kang[HelveticaChimicaActa,2003,vol.86,#6,p.2239-2246]

[6]Saito,Shizuka;Gao,Hong;Kawabata,Jun[HelveticaChimicaActa,2006,vol.89,#4,p.821-831]

[7]Locationinpatent:experimentalpartTakaoka,Shigeki;Takaoka,Noriko;Minoshima,Yuka;Huang,Jian-Mei;Kubo,Miwa;Harada,Kenichi;Hioki,Hideaki;Fukuyama,Yoshiyasu[Tetrahedron,2009,vol.65,#40,p.8354-8361]

[8]Tamiaki,Hitoshi;Ogawa,Keishiro;Enomoto,Keisuke;Taki,Kazutaka;Hotta,Atsushi;Toma,Kazunori[Tetrahedron,2010,vol.66,#9,p.1661-1666]

[9]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2007/244159,2007,A1Locationinpatent:Page/Pagecolumn88

[10]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2015/231142,2015,A1Locationinpatent:Paragraph1556

[11]Goyal,Samta;Narula,PradeepK.;Sharma,Pushpa;Parthasarathy,M.R.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1993,vol.32,#4,p.435-439]

[12]Kang,HakHee;Rho,HoSik;Hwang,JaeSung;Oh,Seong-Geon[ChemicalandPharmaceuticalBulletin,2003,vol.51,#9,p.1085-1088]

[13]Chang,Junbiao;Guo,Xiaohe;Cheng,Senxiang;Guo,Ruiyun;Chen,Rongfeng;Zhao,Kang[BioorganicandMedicinalChemistryLetters,2004,vol.14,#9,p.2131-2136]

[14]Zhang,Wei-Ge;Zhao,Rui;Ren,Jian;Ren,Li-Xiang;Lin,Jin-Guang;Liu,Dai-Lin;Wu,Ying-Liang;Yao,Xin-Sheng[ArchivderPharmazie,2007,vol.340,#5,p.244-250]

[1]CanadianJournalofChemistry,1987,vol.65,p.2390-2396

[2]Patent:EP276051,1991,B1

[3]Patent:EP1073428,2004,B1.Locationinpatent:Page20

[4]JournalofMedicinalChemistry,2018,vol.61,p.7877-7891

[5]BulletinoftheChemicalSocietyofJapan,1985,vol.58,p.346-351

[1]HelveticaChimicaActa,2006,vol.89,p.1395-1407

[2]JournalofAgriculturalandFoodChemistry,2000,vol.48,p.2276-2280

[1]CurrentPatentAssignee:TSUMURA&CO.-US4849448,1989,A

[2]Alam,Ashraful;Takaguchi,Yutaka;Ito,Hideyuki;Yoshida,Takashi;Tsuboi,Sadao[Tetrahedron,2005,vol.61,#7,p.1909-1918]

[3]Hodgson,JonathanM.;Morton,LincolnW.;Puddey,IanB.;Beilin,LawrenceJ.;Croft,KevinD.[JournalofAgriculturalandFoodChemistry,2000,vol.48,#6,p.2276-2280]

[4]Terashima;Shimizu;Nakayama;Ishikura;Ueda;Imai;Suzui;Morita[ChemicalandPharmaceuticalBulletin,1990,vol.38,#10,p.2733-2736]

[5]Jurd[JournaloftheAmericanChemicalSociety,1959,vol.81,p.4606,4608]

Literature

Title: Antioxidant and anti-α-glucosidase compounds from the rhizome of Peltiphyllum peltatum (Torr.) Engl.

Journal: Phytotherapy research : PTR 20121101

Title: Isolation of methyl syringate as a specific aflatoxin production inhibitor from the essential oil of Betula alba and aflatoxin production inhibitory activities of its related compounds.

Journal: International journal of food microbiology 20120215

Title: Maplexins, new α-glucosidase inhibitors from red maple (Acer rubrum) stems.

Journal: Bioorganic & medicinal chemistry letters 20120101

Title: Methyl-3-O-methyl gallate and gallic acid from the leaves of Peltiphyllum peltatum: isolation and comparative antioxidant, prooxidant, and cytotoxic effects in neuronal cells.

Journal: Journal of medicinal food 20111101

Title: Nabavi SF, et al. Neuroprotective effects of methyl-3-O-methyl gallate against sodium fluoride-induced oxidative stress in the brain of rats. Cell Mol Neurobiol. 2013 Mar;33(2):261-7.

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Tags:3934-86-9 Molecular Formula|3934-86-9 MDL|3934-86-9 SMILES|3934-86-9 3,4-Dihydroxy-5-methoxybenzoic acid methyl ester