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57476-50-3,MFCD00049230
Catalog No.:AA00E9OE

57476-50-3 | tert-Butyl 3-formyl-1h-indole-1-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$14.00   $10.00
- +
5g
98%
in stock  
$17.00   $12.00
- +
10g
98%
in stock  
$22.00   $15.00
- +
25g
98%
in stock  
$31.00   $22.00
- +
  • 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:
AA00E9OE
Chemical Name:
tert-Butyl 3-formyl-1h-indole-1-carboxylate
CAS Number:
57476-50-3
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
MDL Number:
MFCD00049230
SMILES:
O=Cc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Properties
Properties
 
BP:
380°C at 760 mmHg  
Form:
Solid  
MP:
119-121 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
334  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
3  
XLogP3:
2.7  

Upstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,2001,vol.123,#31,p.7705-7706

[1]SyntheticCommunications,2000,vol.30,#12,p.2143-2159

[2]OrganicandBiomolecularChemistry,2011,vol.9,#22,p.7904-7912

[3]BulletinoftheKoreanChemicalSociety,2013,vol.34,#2,p.357-358

[4]JournalofOrganicChemistry,2016,vol.81,#4,p.1723-1730

[5]JournaloftheAmericanChemicalSociety,2018,vol.140,#20,p.6432-6440

[6]EuropeanJournalofMedicinalChemistry,2012,vol.56,p.225-236

[7]TetrahedronLetters,2014,vol.55,#13,p.2075-2077

[8]ResearchonChemicalIntermediates,2017,vol.43,#3,p.1355-1363

[9]Patent:CN108658869,2018,A,.Locationinpatent:Paragraph0217;0218-0220

[10]Synthesis,2001,#4,p.550-552

[11]JournaloftheAmericanChemicalSociety,2005,vol.127,#25,p.9251-9254

[12]ChemistryLetters,2010,vol.39,#11,p.1127-1129

[13]JournalofEnzymeInhibitionandMedicinalChemistry,2011,vol.26,#2,p.261-269

[14]JournaloftheChineseChemicalSociety,2014,vol.61,#5,p.507-516

[15]ChemicalandPharmaceuticalBulletin,2016,vol.64,#8,p.1242-1247

[16]Synthesis,1998,#10,p.1501-1505

[17]JournaloftheAmericanChemicalSociety,2012,vol.134,#21,p.8770-8773

[18]AdvancedSynthesisandCatalysis,2013,vol.355,#17,p.3413-3419

[19]Patent:US9096645,2015,B2,.Locationinpatent:Page/Pagecolumn35;36

[20]Synthesis(Germany),2018,vol.50,#1,p.155-169

[21]JournalofOrganicChemistry,2005,vol.70,#15,p.5840-5851

[22]AngewandteChemie-InternationalEdition,2005,vol.44,#1,p.129-132

[23]Synlett,1997,vol.1997,#3,p.289-290

[24]Tetrahedron,1998,vol.54,#14,p.3549-3566

[25]BioorganicandMedicinalChemistry,2001,vol.9,#4,p.955-960

[26]OrganicandBiomolecularChemistry,2010,vol.8,#16,p.3635-3637

[27]Patent:WO2013/148365,2013,A1,.Locationinpatent:Paragraph0081;0082

[28]JournaloftheAmericanChemicalSociety,2014,vol.136,#19,p.7092-7100

[29]RussianChemicalBulletin,2010,vol.59,#2,p.457-462

[30]RussianChemicalBulletin,1995,vol.44,#11,p.2124-2126

[31]IzvestiyaAkademiNauk,SeriyaKhimicheskaya,1995,#11,p.2218-2220

[32]Synlett,2008,#2,p.294-296

[33]Patent:US6376670,2002,B1,

[34]Patent:US6103905,2000,A,

[35]Patent:US6172084,2001,B2,

[36]Patent:US6207679,2001,B1,

[37]OrganicandBiomolecularChemistry,2010,vol.8,#10,p.2344-2351

[38]OrganicLetters,2013,vol.15,#24,p.6306-6308

[39]Chemistry-AEuropeanJournal,2017,vol.23,#40,p.9577-9584

[40]JournaloftheAmericanChemicalSociety,2006,vol.128,#35,p.11693-11712

[41]ChemicalandPharmaceuticalBulletin,1990,vol.38,#7,p.2020-2023

[42]TetrahedronAsymmetry,2001,vol.12,#3,p.439-454

[43]BioorganicandMedicinalChemistry,2003,vol.11,#23,p.5059-5068

[44]Patent:WO2010/149943,2010,A1,.Locationinpatent:Page/Pagecolumn31-32

[45]Patent:WO2010/149944,2010,A1,.Locationinpatent:Page/Pagecolumn39

[46]Patent:US2012/157461,2012,A1,.Locationinpatent:Page/Pagecolumn12-14

[47]TetrahedronLetters,2012,vol.53,#37,p.4966-4970

[48]Patent:WO2013/45516,2013,A1,.Locationinpatent:Page/Pagecolumn129;138

[49]EuropeanJournalofMedicinalChemistry,2014,vol.83,p.508-515

[50]Patent:WO2015/8202,2015,A1,.Locationinpatent:Page/Pagecolumn18

[51]Patent:WO2004/43900,2004,A2,.Locationinpatent:Page25-27

[52]EuropeanJournalofMedicinalChemistry,2016,vol.112,p.289-297

[1]JournaloftheAmericanChemicalSociety,2005,vol.127,#25,p.9251-9254

[2]OrganicandBiomolecularChemistry,2013,vol.11,#25,p.4186-4193

[3]OrganicLetters,2013,vol.15,#5,p.992-995

[1]Patent:US5554753,1996,A,

[1]Patent:US2013/196967,2013,A1,.Locationinpatent:Paragraph0224;0225

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,2005,vol.127,p.9251-9254

[2]OrganicandBiomolecularChemistry,2013,vol.11,p.4186-4193

[3]OrganicLetters,2013,vol.15,p.992-995

57476-50-3    18293-53-3   
3-(2-cyano-1-hydroxy-ethyl)-indole-1-carboxylicacid<i>tert</i>-butylester 

[1]ChemistryLetters,2005,vol.34,p.1508-1509

57476-50-3    36626-29-6    77-78-1   
3-(3-methoxycarbonyl-propenyl)-indole-1-carboxylicacid<i>tert</i>-butylester 

[1]TetrahedronAsymmetry,2006,vol.17,p.665-673

106-88-7    57476-50-3   
tert-butyl3-(2-hydroxybutoxy)methyl-1H-indole-1-carboxylate 

[1]AngewandteChemie-InternationalEdition,2005,vol.44,p.129-132

C18H21NOSSi 
  57476-50-3   
tert-butyl3-(2SR,5SR,6RS)-4-oxo-2-phenyl-5-phenylthio-1,3oxazinan-6-yl-1H-indole-1-carboxylate 
 
tert-butyl3-(2RS,5SR,6RS)-4-oxo-2-phenyl-5-phenylthio-1,3oxazinan-6-yl-1H-indole-1-carboxylate 

[1]Tetrahedron,2006,vol.62,p.12270-12280

Literature

Title: Malassezin--A novel agonist of the arylhydrocarbon receptor from the yeast Malassezia furfur.

Journal: Bioorganic & medicinal chemistry 20010401

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Tags:57476-50-3 Molecular Formula|57476-50-3 MDL|57476-50-3 SMILES|57476-50-3 tert-Butyl 3-formyl-1h-indole-1-carboxylate