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86770-31-2,MFCD02179394
Catalog No.:AA003A6F

86770-31-2 | 3,5-Dimethyl-1h-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$18.00   $13.00
- +
5g
98%
in stock  
$51.00   $36.00
- +
25g
98%
in stock  
$144.00   $101.00
- +
  • 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:
AA003A6F
Chemical Name:
3,5-Dimethyl-1h-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
CAS Number:
86770-31-2
Molecular Formula:
C14H21NO4
Molecular Weight:
267.3208
MDL Number:
MFCD02179394
SMILES:
CCOC(=O)c1c(C)[nH]c(c1C)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
348  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
2.9  

Upstream Synthesis Route

[1]Synlett,2010,#17,p.2561-2564

[2]BioorganicandMedicinalChemistryLetters,2011,vol.21,#10,p.3062-3065

[3]JournaloftheAmericanChemicalSociety,

[4]JournaloftheAmericanChemicalSociety,2009,vol.131,p.8578-8586

[5]JournalofMedicinalChemistry,2010,vol.53,#1,p.139-146

[6]OrganicandBiomolecularChemistry,2016,vol.14,#21,p.4829-4841

[7]MedicinalChemistryResearch,2013,vol.22,#4,p.1723-1729

[8]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1983,p.633-636

[9]Patent:WO2009/157011,2009,A1,.Locationinpatent:Page/Pagecolumn28

[10]Patent:US2011/92717,2011,A1,.Locationinpatent:Page/Pagecolumn14

[11]Patent:CN108191835,2018,A,.Locationinpatent:Paragraph0026-0027

[12]Patent:WO2008/33743,2008,A1,.Locationinpatent:Page/Pagecolumn53;56

[13]Patent:WO2008/33747,2008,A2,.Locationinpatent:Page/Pagecolumn200-201

[14]ChemischeBerichte,1954,vol.87,p.1163,1166

[1]JournalofMedicinalChemistry,2003,vol.46,#7,p.1116-1119

[2]Bioorganicandmedicinalchemistryletters,2002,vol.12,#16,p.2153-2157

[3]Patent:US2011/92717,2011,A1,

[4]BioorganicandMedicinalChemistryLetters,2011,vol.21,#10,p.3062-3065

[5]Patent:WO2011/119777,2011,A2,

[6]MedicinalChemistryResearch,2013,vol.22,#4,p.1723-1729

[7]OrganicandBiomolecularChemistry,2016,vol.14,#21,p.4829-4841

[8]JournalofChromatographyB:AnalyticalTechnologiesintheBiomedicalandLifeSciences,2018,vol.1092,p.515-523

[1]Bioorganicandmedicinalchemistryletters,2002,vol.12,#16,p.2153-2157

[2]Patent:US2004/266843,2004,A1,.Locationinpatent:Page10;11

[3]ChemicalandPharmaceuticalBulletin,2007,vol.55,#10,p.1439-1441

[4]Patent:US6878733,2005,B1,.Locationinpatent:Page/Pagecolumn181-182

[5]Patent:US2004/204407,2004,A1,.Locationinpatent:Page/Pagecolumn14-15

[6]Patent:US2003/69297,2003,A1,

[7]Patent:US2003/125370,2003,A1,

[1]Patent:US2011/92717,2011,A1,

[2]BioorganicandMedicinalChemistryLetters,2011,vol.21,#10,p.3062-3065

[3]Patent:WO2011/119777,2011,A2,.Locationinpatent:Page/Pagecolumn32

[4]MedicinalChemistryResearch,2013,vol.22,#4,p.1723-1729

[5]OrganicandBiomolecularChemistry,2016,vol.14,#21,p.4829-4841

[6]Patent:CN108191835,2018,A,

[1]JournalofChromatographyB:AnalyticalTechnologiesintheBiomedicalandLifeSciences,2018,vol.1092,p.515-523

[2]JournalofMedicinalChemistry,2003,vol.46,#7,p.1116-1119

Downstream Synthesis Route

[1]ChemischeBerichte,1954,vol.87,p.1163,1166

[2]JournalofMedicinalChemistry,2003,vol.46,p.1116-1119

[3]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.3062-3065

[4]MedicinalChemistryResearch,2013,vol.22,p.1723-1729

[5]OrganicandBiomolecularChemistry,2016,vol.14,p.4829-4841

[6]JournalofChromatographyB:AnalyticalTechnologiesintheBiomedicalandLifeSciences,2018,vol.1092,p.515-523

[7]Patent:US6878733,2005,B1

[1]Patent:WO2008/33743,2008,A1.Locationinpatent:Page/Pagecolumn53;55-56

[1]ChemicalandPharmaceuticalBulletin,2007,vol.55,p.1439-1441

[1]ChemicalandPharmaceuticalBulletin,2007,vol.55,p.1439-1441

86770-31-2   
tert-butyl3,7-dimethyl-8-ethylpyrrolo3,2-findolizine-4,6-dione-2-carboxylate 

[1]JournalofOrganicChemistry,2005,vol.70,p.688-691

Literature
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SDS
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Tags:86770-31-2 Molecular Formula|86770-31-2 MDL|86770-31-2 SMILES|86770-31-2 3,5-Dimethyl-1h-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester