61874-04-2,MFCD04972464
Catalog No.:AA00EFHJ

61874-04-2 | 4-Hydroxy-3-carboxaldehydeacetic acid methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$126.00   $88.00
- +
1g
98%
in stock  
$303.00   $212.00
- +
5g
98%
in stock  
$1,079.00   $756.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EFHJ
Chemical Name:
4-Hydroxy-3-carboxaldehydeacetic acid methyl ester
CAS Number:
61874-04-2
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD04972464
SMILES:
COC(=O)Cc1ccc(c(c1)C=O)O
Properties
Computed Properties
 
Complexity:
214  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.4  

Downstream Synthesis Route
61874-04-2    107-30-2   
(3-Formyl-4-methoxymethoxy-phenyl)-aceticacidmethylester 

[1]Kaufman,MichaelD.;Grieco,PaulA.;Bougie,DanielW.[JournaloftheAmericanChemicalSociety,1993,vol.115,#24,p.11648-11649]

[1]CurrentPatentAssignee:ABBVIEINC-US6867200,2005,B1Locationinpatent:Page/Pagecolumn80

[2]CurrentPatentAssignee:ABBVIEINC-WO2005/118554,2005,A2Locationinpatent:Page/Pagecolumn37;38

[3]CurrentPatentAssignee:ABBVIEINC-US2014/80879,2014,A1Locationinpatent:Paragraph0176

[4]CurrentPatentAssignee:NOVONORDISKA/S-WO2014/57068,2014,A1Locationinpatent:Page/Pagecolumn39;40

[5]CurrentPatentAssignee:PANZHIHUAUNIVERSITY-CN114195640,2022,ALocationinpatent:Paragraph0057;0060-0064

[6]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2013/19682,2013,A1Locationinpatent:Page/Pagecolumn82

[7]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2013/19626,2013,A1Locationinpatent:Page/Pagecolumn24

[8]Hansen,StinneW.;Erichsen,MetteN.;Fu,Bingru;Bjørn-Yoshimoto,WaldenE.;Abrahamsen,Bjarke;Hansen,JacobC.;Jensen,AndersA.;Bunch,Lennart[JournalofMedicinalChemistry,2016,vol.59,#19,p.8757-8770]

[9]CurrentPatentAssignee:UNIVERSITYOFGENEVA-WO2018/69470,2018,A1Locationinpatent:Page/Pagecolumn46;47

[10]Young,WendyB;Kolesnikov,Aleksandr;Rai,Roopa;Sprengeler,PaulA;Leahy,EllenM;Shrader,WilliamD;Sangalang,Joan;Burgess-Henry,Jana;Spencer,Jeff;Elrod,Kyle;Cregar,Lynne[BioorganicandMedicinalChemistryLetters,2001,vol.11,#17,p.2253-2256]

[11]Locationinpatent:schemeortableSessions,E.Hampton;Smolinski,Michael;Wang,Bo;Frackowiak,Bozena;Chowdhury,Sarwat;Yin,Yan;Chen,YenTing;Ruiz,Claudia;Lin,Li;Pocas,Jennifer;Schröter,Thomas;Cameron,MichaelD.;LoGrasso,Philip;Feng,Yangbo;Bannister,ThomasD.[BioorganicandMedicinalChemistryLetters,2010,vol.20,#6,p.1939-1943]

[12]CurrentPatentAssignee:VANDERBILTUNIVERSITY-WO2021/154877,2021,A1Locationinpatent:Paragraph0062

[13]Li,Xiaohu;Huang,You[ChemicalCommunications,2021,vol.57,#77,p.9934-9937]

[1]CurrentPatentAssignee:ABBVIEINC-US6867200,2005,B1Locationinpatent:Page/Pagecolumn80

[2]CurrentPatentAssignee:NOVONORDISKA/S-WO2014/57068,2014,A1Locationinpatent:Page/Pagecolumn39;40

[3]CurrentPatentAssignee:ABBVIEINC-WO2005/118554,2005,A2Locationinpatent:Page/Pagecolumn37-38

[4]CurrentPatentAssignee:ABBVIEINC-US2014/80879,2014,A1Locationinpatent:Paragraph0177

[5]Young,WendyB;Kolesnikov,Aleksandr;Rai,Roopa;Sprengeler,PaulA;Leahy,EllenM;Shrader,WilliamD;Sangalang,Joan;Burgess-Henry,Jana;Spencer,Jeff;Elrod,Kyle;Cregar,Lynne[BioorganicandMedicinalChemistryLetters,2001,vol.11,#17,p.2253-2256]

[1]Young,WendyB;Kolesnikov,Aleksandr;Rai,Roopa;Sprengeler,PaulA;Leahy,EllenM;Shrader,WilliamD;Sangalang,Joan;Burgess-Henry,Jana;Spencer,Jeff;Elrod,Kyle;Cregar,Lynne[BioorganicandMedicinalChemistryLetters,2001,vol.11,#17,p.2253-2256]

[2]CurrentPatentAssignee:ABBVIEINC-US2014/80879,2014,A1

[1]Young,WendyB;Kolesnikov,Aleksandr;Rai,Roopa;Sprengeler,PaulA;Leahy,EllenM;Shrader,WilliamD;Sangalang,Joan;Burgess-Henry,Jana;Spencer,Jeff;Elrod,Kyle;Cregar,Lynne[BioorganicandMedicinalChemistryLetters,2001,vol.11,#17,p.2253-2256]

Literature
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Additional Info:
SDS
Tags:61874-04-2 Molecular Formula|61874-04-2 MDL|61874-04-2 SMILES|61874-04-2 4-Hydroxy-3-carboxaldehydeacetic acid methyl ester
Catalog No.: AA00EFHJ
61874-04-2,MFCD04972464
61874-04-2 | 4-Hydroxy-3-carboxaldehydeacetic acid methyl ester
Pack Size: 250mg
Purity: 98%
in stock
$126.00 $88.00
Pack Size: 1g
Purity: 98%
in stock
$303.00 $212.00
Pack Size: 5g
Purity: 98%
in stock
$1,079.00 $756.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00EFHJ
Chemical Name: 4-Hydroxy-3-carboxaldehydeacetic acid methyl ester
CAS Number: 61874-04-2
Molecular Formula: C10H10O4
Molecular Weight: 194.1840
MDL Number: MFCD04972464
SMILES: COC(=O)Cc1ccc(c(c1)C=O)O
Properties
Complexity: 214  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.4  
Downstream Synthesis Route
61874-04-2    107-30-2   
(3-Formyl-4-methoxymethoxy-phenyl)-aceticacidmethylester 

[1]Kaufman,MichaelD.;Grieco,PaulA.;Bougie,DanielW.[JournaloftheAmericanChemicalSociety,1993,vol.115,#24,p.11648-11649]

50-00-0    14199-15-6    61874-04-2 

[1]CurrentPatentAssignee:ABBVIEINC-US6867200,2005,B1Locationinpatent:Page/Pagecolumn80

[2]CurrentPatentAssignee:ABBVIEINC-WO2005/118554,2005,A2Locationinpatent:Page/Pagecolumn37;38

[3]CurrentPatentAssignee:ABBVIEINC-US2014/80879,2014,A1Locationinpatent:Paragraph0176

[4]CurrentPatentAssignee:NOVONORDISKA/S-WO2014/57068,2014,A1Locationinpatent:Page/Pagecolumn39;40

[5]CurrentPatentAssignee:PANZHIHUAUNIVERSITY-CN114195640,2022,ALocationinpatent:Paragraph0057;0060-0064

[6]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2013/19682,2013,A1Locationinpatent:Page/Pagecolumn82

[7]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2013/19626,2013,A1Locationinpatent:Page/Pagecolumn24

[8]Hansen,StinneW.;Erichsen,MetteN.;Fu,Bingru;Bjørn-Yoshimoto,WaldenE.;Abrahamsen,Bjarke;Hansen,JacobC.;Jensen,AndersA.;Bunch,Lennart[JournalofMedicinalChemistry,2016,vol.59,#19,p.8757-8770]

[9]CurrentPatentAssignee:UNIVERSITYOFGENEVA-WO2018/69470,2018,A1Locationinpatent:Page/Pagecolumn46;47

[10]Young,WendyB;Kolesnikov,Aleksandr;Rai,Roopa;Sprengeler,PaulA;Leahy,EllenM;Shrader,WilliamD;Sangalang,Joan;Burgess-Henry,Jana;Spencer,Jeff;Elrod,Kyle;Cregar,Lynne[BioorganicandMedicinalChemistryLetters,2001,vol.11,#17,p.2253-2256]

[11]Locationinpatent:schemeortableSessions,E.Hampton;Smolinski,Michael;Wang,Bo;Frackowiak,Bozena;Chowdhury,Sarwat;Yin,Yan;Chen,YenTing;Ruiz,Claudia;Lin,Li;Pocas,Jennifer;Schröter,Thomas;Cameron,MichaelD.;LoGrasso,Philip;Feng,Yangbo;Bannister,ThomasD.[BioorganicandMedicinalChemistryLetters,2010,vol.20,#6,p.1939-1943]

[12]CurrentPatentAssignee:VANDERBILTUNIVERSITY-WO2021/154877,2021,A1Locationinpatent:Paragraph0062

[13]Li,Xiaohu;Huang,You[ChemicalCommunications,2021,vol.57,#77,p.9934-9937]

61874-04-2    277313-22-1 

[1]CurrentPatentAssignee:ABBVIEINC-US6867200,2005,B1Locationinpatent:Page/Pagecolumn80

[2]CurrentPatentAssignee:NOVONORDISKA/S-WO2014/57068,2014,A1Locationinpatent:Page/Pagecolumn39;40

[3]CurrentPatentAssignee:ABBVIEINC-WO2005/118554,2005,A2Locationinpatent:Page/Pagecolumn37-38

[4]CurrentPatentAssignee:ABBVIEINC-US2014/80879,2014,A1Locationinpatent:Paragraph0177

[5]Young,WendyB;Kolesnikov,Aleksandr;Rai,Roopa;Sprengeler,PaulA;Leahy,EllenM;Shrader,WilliamD;Sangalang,Joan;Burgess-Henry,Jana;Spencer,Jeff;Elrod,Kyle;Cregar,Lynne[BioorganicandMedicinalChemistryLetters,2001,vol.11,#17,p.2253-2256]

61874-04-2    277313-23-2 

[1]Young,WendyB;Kolesnikov,Aleksandr;Rai,Roopa;Sprengeler,PaulA;Leahy,EllenM;Shrader,WilliamD;Sangalang,Joan;Burgess-Henry,Jana;Spencer,Jeff;Elrod,Kyle;Cregar,Lynne[BioorganicandMedicinalChemistryLetters,2001,vol.11,#17,p.2253-2256]

[2]CurrentPatentAssignee:ABBVIEINC-US2014/80879,2014,A1

61874-04-2    277313-24-3 

[1]Young,WendyB;Kolesnikov,Aleksandr;Rai,Roopa;Sprengeler,PaulA;Leahy,EllenM;Shrader,WilliamD;Sangalang,Joan;Burgess-Henry,Jana;Spencer,Jeff;Elrod,Kyle;Cregar,Lynne[BioorganicandMedicinalChemistryLetters,2001,vol.11,#17,p.2253-2256]

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