Name: Name:3,5-Dimethyl-1h-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
Brand: AABLOCKS
SKU: AA003A6F
Rating: 90 (10 reviews)

Catalog No.: AA003A6F

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

Pack Size： 1g

Purity： 98%

in stock

$19.00 $13.00

Pack Size： 5g

Purity： 98%

in stock

$51.00 $36.00

Pack Size： 25g

Purity： 98%

in stock

$146.00 $102.00

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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

Complexity: 348

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 19

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.9

Upstream Synthesis Route

86770-31-2

2199-51-1

[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

86770-31-2

253870-02-9

[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

86770-31-2

122-51-0

2199-59-9

[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,

86770-31-2

2199-59-9

[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,

86770-31-2

149-73-5

2199-59-9

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

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

Downstream Synthesis Route

1694-31-1

86770-31-2

[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

141-97-9

86770-31-2

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

86770-31-2

122-51-0

67087-19-8

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

86770-31-2

122-51-0

2407-87-6

[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

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