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500-99-2,MFCD00008388
Catalog No.:AA003IL9

500-99-2 | 3,5-Dimethoxyphenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$11.00   $8.00
- +
5g
96%
in stock  
$29.00   $21.00
- +
10g
96%
in stock  
$36.00   $25.00
- +
25g
96%
in stock  
$89.00   $62.00
- +
100g
96%
in stock  
$258.00   $181.00
- +
  • 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:
AA003IL9
Chemical Name:
3,5-Dimethoxyphenol
CAS Number:
500-99-2
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
MDL Number:
MFCD00008388
SMILES:
COc1cc(OC)cc(c1)O
NSC Number:
70955
Properties
Properties
 
BP:
294.1°C at 760 mmHg  
Form:
Liquid  
MP:
40-43 °C(lit.)  
Refractive Index:
1.4745 (estimate)  
Stability:
Air & Light Sensitive  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
104  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.6  

Upstream Synthesis Route

[1]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1983,vol.22,#11,p.1119-1121

[2]JournaloftheChemicalSociety,1936,p.1834,1837

[3]StructuralChemistry,2011,vol.22,#1,p.161-166

[4]NaturalProductResearch,2012,vol.26,#16,p.1473-1482

[1]BulletinoftheKoreanChemicalSociety,2012,vol.33,#4,p.1379-1382

[2]BulletinoftheKoreanChemicalSociety,2012,vol.33,#4,p.1379-1382

[3]BulletinoftheKoreanChemicalSociety,2012,vol.33,#4,p.1379-1382

[4]BulletinoftheKoreanChemicalSociety,2012,vol.33,#4,p.1379-1382

[1]JournalofChemicalResearch,2015,vol.39,#9,p.550-552

[2]JournalofChemicalResearch,2015,vol.39,#9,p.550-552

[1]OrganicLetters,2012,vol.14,#11,p.2818-2821

[2]OrganicLetters,2012,vol.14,#11,p.2818-2821

[1]EuropeanJournalofMedicinalChemistry,2013,vol.69,p.823-832

[2]Heterocycles,2016,vol.93,#1,p.310-322

[3]JournaloftheChemicalSociety,PerkinTransactions2:PhysicalOrganicChemistry(1972-1999),1989,p.1275-1284

[4]Synlett,2005,#6,p.927-930

Downstream Synthesis Route

[1]Thomsen,Ib;Torssell,KurtB.G.[ActaChemicaScandinavica,1991,vol.45,#5,p.539-542]

[2]Crauste,Celine;Vigor,Claire;Brabet,Philippe;Picq,Madeleine;Lagarde,Michel;Hamel,Christian;Durand,Thierry;Vercauteren,Joseph[EuropeanJournalofOrganicChemistry,2014,vol.2014,#21,p.4548-4561]

[3]CurrentPatentAssignee:UNIVERSITYOFMONTPELLIER;UNIVERSITYOFCLERMONTAUVERGNE;CENTRENATIONALDELARECHERCHESCIENTIFIQUE;NATIONALINSTITUTEOFHEALTHANDMEDICALRESEARCH;CENTREHOSPITALIERUNIVERSITAIREDEMONTPELLIER-WO2015/162265,2015,A1Locationinpatent:Page/Pagecolumn39

[4]Kiehlmann,E.;Lauener,R.W.[CanadianJournalofChemistry,1989,vol.67,p.335-344]

[5]Weidel;Pollak[MonatsheftefurChemie,1900,vol.21,p.31]

[1]ComptesRendusdesSeancesdel'AcademiedesSciences,SerieC:SciencesChimiques,1970,vol.271,p.378-380

[1]ChemischeBerichte,1987,vol.120,p.373-378

500-99-2    3147-64-6   
1-hydroxy-3,8-dimethoxy-9H-xanthen-9-one 

[1]HelveticaChimicaActa,1985,vol.68,p.2359-2366

[1]Grimm,Christopher;Lazzarotto,Mattia;Pompei,Simona;Schichler,Johanna;Richter,Nina;Farnberger,JudithE.;Fuchs,Michael;Kroutil,Wolfgang[ACSCatalysis,2020,vol.10,#18,p.10375-10380]

[2]Loubinoux,B.;Coudert,G.;Guillaumet,G.[Synthesis,1980,#8,p.638-640]

[3]Magano,Javier;Chen,MichaelH.;Clark,JerryD.;Nussbaumer,Thomas[JournalofOrganicChemistry,2006,vol.71,#18,p.7103-7105]

[4]Testaferri,L.;Tiecco,M.;Tingoli,M.;Chianelli,D.;Montanucci,M.[Tetrahedron,1982,vol.38,#24,p.3687-3692]

[5]Feutrill,G.I.;Mirrington,R.N.[AustralianJournalofChemistry,1972,vol.25,p.1719-1729]

[6]Elix,J.A.etal.[AustralianJournalofChemistry,1978,vol.31,p.145-155]

[7]Morey,Jeroni;Costa,Antoni;Deya,PereM.;Suner,Guillem;Saa,JoseM.[JournalofOrganicChemistry,1990,vol.55,p.3902-3909]

Literature

Title: Fatal poisoning with Taxus baccata: quantification of paclitaxel (taxol A), 10-deacetyltaxol, baccatin III, 10-deacetylbaccatin III, cephalomannine (taxol B), and 3,5-dimethoxyphenol in body fluids by liquid chromatography-tandem mass spectrometry.

Journal: Journal of analytical toxicology 20120101

Title: Microbial detoxification of bifenthrin by a novel yeast and its potential for contaminated soils treatment.

Journal: PloS one 20120101

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

Journal: Journal of mass spectrometry : JMS 20110701

Title: Importance of phenols structure on their activity as antinitrosating agents: A kinetic study.

Journal: Journal of pharmacy & bioallied sciences 20110101

Title: In situ lignocellulosic unlocking mechanism for carbohydrate hydrolysis in termites: crucial lignin modification.

Journal: Biotechnology for biofuels 20110101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: [3,5-dimethoxyfenol--marker intoxication with Taxus baccata].

Journal: Soudni lekarstvi 20100701

Title: Extracorporeal life support in a severe Taxus baccata poisoning.

Journal: Clinical toxicology (Philadelphia, Pa.) 20100601

Title: Preliminary gas chromatography with mass spectrometry determination of 3,5-dimethoxyphenol in biological specimens as evidence of taxus poisoning.

Journal: Journal of analytical toxicology 20100101

Title: Ethyl 2-(4-chloro-phen-yl)-3-(3,5-dimethoxy-phen-oxy)acrylate.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: Modern analytical procedures for the determination of taxus alkaloids in biological material.

Journal: International journal of legal medicine 20080701

Title: Chemical libraries via sequential C-H functionalization of phenols.

Journal: Journal of combinatorial chemistry 20080101

Title: A comparative study of five fatal cases of Taxus poisoning.

Journal: International journal of legal medicine 20070901

Title: Synthesis and cosmetic whitening effect of glycosides derived from several phenylpropanoids.

Journal: Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20060301

Title: Total synthesis of garsubellin A.

Journal: Journal of the American Chemical Society 20060201

Title: Unusual pseudosubstrate specificity of a novel 3,5-dimethoxyphenol O-methyltransferase cloned from Ruta graveolens L.

Journal: Archives of biochemistry and biophysics 20050801

Title: [Suicidal yew poisoning--from Caesar to today--or suicide instructions on the internet].

Journal: Archiv fur Kriminologie 20030101

Title: Biosynthesis of the major scent components 3,5-dimethoxytoluene and 1,3,5-trimethoxybenzene by novel rose O-methyltransferases.

Journal: FEBS letters 20020717

Title: Grobosch T, et al. Fatal poisoning with Taxus baccata: quantification of paclitaxel (taxol A), 10-deacetyltaxol, baccatin III, 10-deacetylbaccatin III, cephalomannine (taxol B), and 3,5-dimethoxyphenol in body fluids by liquid chromatography-tandem mass spectrometry. J Anal Toxicol. 2012 Jan-Feb;36(1):36-43.

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Tags:500-99-2 Molecular Formula|500-99-2 MDL|500-99-2 SMILES|500-99-2 3,5-Dimethoxyphenol |Organic_Building_Blocks