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642-71-7,MFCD00008389
Catalog No.:AA0033F8

642-71-7 | 3,4,5-Trimethoxyphenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$9.00   $6.00
- +
5g
97%
in stock  
$28.00   $19.00
- +
10g
97%
in stock  
$38.00   $26.00
- +
  • 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:
AA0033F8
Chemical Name:
3,4,5-Trimethoxyphenol
CAS Number:
642-71-7
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
MDL Number:
MFCD00008389
SMILES:
COc1c(OC)cc(cc1OC)O
Properties
Properties
 
BP:
313.1 °C at 760 mmHg  
Form:
Solid  
MP:
146-149 °C  
Refractive Index:
1.4345 (estimate)  
Solubility:
Soluble in chloroform.  
Stability:
Light Sensitive  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
137  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
0.5  

Upstream Synthesis Route

[1]Chemicalandpharmaceuticalbulletin,2003,vol.51,#3,p.339-340

[2]Chemicalandpharmaceuticalbulletin,2003,vol.51,#3,p.339-340

[3]Chemicalandpharmaceuticalbulletin,2003,vol.51,#3,p.339-340

[4]Chemicalandpharmaceuticalbulletin,2003,vol.51,#3,p.339-340

[5]ChemistryandBiodiversity,2015,vol.12,#2,p.259-272

[1]ChemicalCommunications,2017,vol.53,#73,p.10180-10183

Downstream Synthesis Route

[1]Tamura,Yasumitsu;Yakura,Takayuki;Tohma,Hirofumi;Kikuchi,Kazumi;Kita,Yasuyuki[Synthesis,1989,#2,p.126-127]

[2]Dohi,Toshifumi;Maruyama,Akinobu;Yoshimura,Misaki;Morimoto,Koji;Tohma,Hirofumi;Shiro,Motoo;Kita,Yasuyuki[ChemicalCommunications,2005,#17,p.2205-2207]

[3]Matsumoto,Masakatsu;Kobayashi,Hisako;Hotta,Yasushi[SyntheticCommunications,1985,vol.15,#6,p.515-520]

[4]Orita,Hideo;Shimizu,Masao;Hayakawa,Takashi;Takehira,Katsuomi[BulletinoftheChemicalSocietyofJapan,1989,vol.62,#5,p.1652-1657]

[5]Collom;Anastas;Beach;Crabtree;Hazari;Sommer[TetrahedronLetters,2013,vol.54,#19,p.2344-2347]

[6]Baker[JournaloftheChemicalSociety,1928,p.1029]

[7]Sum,TzeHan;Sum,TzeJing;Stokes,JamieE.;Galloway,WarrenR.J.D.;Spring,DavidR.[Tetrahedron,2015,vol.71,#26-27,p.4557-4564]

[1]CurrentPatentAssignee:HALLYMUNIVERSITY-KR2019/94819,2019,ALocationinpatent:Paragraph0100;0101

[2]CurrentPatentAssignee:HALLYMUNIVERSITY-KR101997515,2019,B1Locationinpatent:Paragraph0066;0067

[3]CurrentPatentAssignee:ZHIYUANMEDICINETECHQINGYUAN-CN110498784,2019,ALocationinpatent:Paragraph0097-0100

[4]Combes;Finet;Siri[JournaloftheChemicalSociety.PerkinTransactions1(2001),2002,vol.2,#1,p.38-44]

[5]Gao,Hong;Nishida,Jun;Saito,Shizuka;Kawabata,Jun[Molecules,2007,vol.12,#1,p.86-97]

[6]Yoon,Hyunjun;Kim,MiKyoung;Mok,Hyejung;Chong,Youhoon[BulletinoftheKoreanChemicalSociety,2012,vol.33,#8,p.2803-2805]

[7]Kumar,P.Ravi;Balakrishna;Murali;Gudipati,Ramakrishna;Hota,PrasantaK.;Chaudhary,AvinashB.;Shree,A.Jaya;Yennam,Satyanarayana;Behera,Manoranjan[JournalofChemicalSciences,2016,vol.128,#3,p.441-450]

[8]Chapman;Perkin;Robinson[JournaloftheChemicalSociety,1927,p.3020]

[9]Locationinpatent:schemeortableSoulage,ChristopheO.;Grand,Lucie;Géloën,Alain;Chambert,Stéphane[TetrahedronLetters,2012,vol.53,#5,p.480-483]

[10]Gadakh,SunitaK.;Dey,Soumen;Sudalai,Arumugam[JournalofOrganicChemistry,2015,vol.80,#22,p.11544-11550]

[11]Damodar,Kongara;Lee,JeongTae;Kim,Jin-Kyung;Jun,Jong-Gab[BioorganicandMedicinalChemistryLetters,2018,vol.28,#11,p.2098-2102]

[12]CurrentPatentAssignee:SECONDMILITARYMEDICALUNIVERSITY-CN110950828,2020,ALocationinpatent:Paragraph0088;0163-0164

[13]CurrentPatentAssignee:SECONDMILITARYMEDICALUNIVERSITY-CN111057035,2020,ALocationinpatent:Paragraph0167;0168

[1]Dong,Ze-Xi;Li,Nian-Guang;Zhang,Peng-Xuan;Gu,Ting;Wu,Wen-Yu;Shi,Zhi-Hao;McPhee,DerekJ.;Dehaen,Wim[Molecules,2016,vol.21,#3]

[2]Tsou,LunK.;Lara-Tejero,María;Rosefigura,Jordan;Zhang,ZhenrunJ.;Wang,Yen-Chih;Yount,JacobS.;Lefebre,Matthew;Dossa,PaulD.;Kato,Junya;Guan,Fulan;Lam,Wing;Cheng,Yung-Chi;Galán,JorgeE.;Hang,HowardC.[JournaloftheAmericanChemicalSociety,2016,vol.138,#7,p.2209-2218]

[3]Horton,W.J.;Stout,M.G.[JournalofOrganicChemistry,1962,vol.27,p.830-833]Mani;Venkataraman[JournalOfScientificandIndustrialResearch,1962,vol.21B,p.477]

[4]Huang,Wen-Hsin;Chien,Pei-Yu;Yang,Ching-Huey;Lee,An-Rong[Chemicalandpharmaceuticalbulletin,2003,vol.51,#3,p.339-340]

[5]Wang,Xiaoqi;Li,Dongli;Cao,Yong;Ho,Chi-Tang;Huang,Qingrong[JournalofAgriculturalandFoodChemistry,2022,vol.70,#10,p.3162-3171]

[1]Qin,Qi-Xue;Yang,Jian;Chen,Duo-Zhi;Yang,Bo;Zhang,Ji[OrganicPreparationsandProceduresInternational,2013,vol.45,#4,p.321-324]

[2]Kristianslund,Renate;Vik,Anders;Hansen,TrondV.[SyntheticCommunications,2018,vol.48,#21,p.2809-2814]

[3]Graebe;Suter[JustusLiebigsAnnalenderChemie,1905,vol.340,p.230]

[4]Verotta,Luisella;Dell'Agli,Mario;Giolitot,Andrea;Guerrini,Marco;Cabalion,Pierre;Bosisio,Enrica[JournalofNaturalProducts,2001,vol.64,#5,p.603-607]

[5]Gong,Jingxu;Huang,Kexin;Wang,Feng;Yang,Leixiang;Feng,Yubing;Li,Haibo;Li,Xiaokun;Zeng,Su;Wu,Xiumei;Stoeckigt,Joachim;Zhao,Yu;Qu,Jia[BioorganicandMedicinalChemistry,2009,vol.17,#9,p.3414-3425]

[1]ComptesRendusdesSeancesdel'AcademiedesSciences,SerieC:SciencesChimiques,1966,vol.263,p.1022-1025

Literature

Title: On the way to understand antioxidants: chromanol and dimethoxyphenols gas-phase acidities.

Journal: Journal of mass spectrometry : JMS 20110701

Title: [Chemical constituents from roots of Distylium myricoides].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20090901

Title: Antimalarial constituents from Nauclea orientalis (L.) L.

Journal: Chemistry & biodiversity 20051001

Title: Synthesis of a capillarisin sulfur-analogue possessing aldose reductase inhibitory activity by selective isopropylation.

Journal: Chemical & pharmaceutical bulletin 20050901

Title: Synthesis and anticancer activities of 5,6,7-trimethylbaicalein derivatives.

Journal: Chemical & pharmaceutical bulletin 20041001

Title: Constituents from the bark of Tabebuia impetiginosa.

Journal: Phytochemistry 20040701

Title: J. S. Chauhan, et al. Constituents from Salmaliamalabaricum. Canadian Journal of Chemistry, 1980, 58(4): 328-330.

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