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21598-06-1,MFCD00005615
Catalog No.:AA003MPH

21598-06-1 | 5-Hydroxyindole-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$46.00   $32.00
- +
1g
95%
in stock  
$51.00   $36.00
- +
5g
97%
in stock  
$136.00   $96.00
- +
  • 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:
AA003MPH
Chemical Name:
5-Hydroxyindole-2-carboxylic acid
CAS Number:
21598-06-1
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD00005615
SMILES:
Oc1ccc2c(c1)cc([nH]2)C(=O)O
NSC Number:
117338
Properties
Properties
 
BP:
511.4°C at 760 mmHg  
Form:
Liquid  
MP:
249 °C (dec.)(lit.)  
Refractive Index:
1.5200 (estimate)  
Solubility:
chloroform/ethanol (1:1): soluble50mg/mL, clear to slightly hazy, yellow to brown  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
219  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
2  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistry,2015,vol.23,#13,p.3481-3489

[2]Patent:JP2015/214548,2015,A,.Locationinpatent:Paragraph1400;1401

[3]EuropeanJournalofMedicinalChemistry,2010,vol.45,#2,p.752-759

Downstream Synthesis Route

[1]JournaloftheChemicalSociety,1943,p.49

[2]JournaloftheChemicalSociety,1948,p.1605,1608

[1]JournaloftheChemicalSociety,1943,p.49

[1]JournaloftheChemicalSociety,1948,p.1605,1608

6066-82-6    21598-06-1   
5-Hydroxy-1H-indole-2-carboxylicacid2,5-dioxo-pyrrolidin-1-ylester 

[1]JournalofMedicinalChemistry,1992,vol.35,p.2007-2014

67-56-1    21598-06-1    24424-99-5    143268-07-9   
methyl5-oxo-1-(tert-butoxycarbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate 

[1]JournalofMedicinalChemistry,1992,vol.35,p.3547-3560

Literature

Title: Protection of melanized Cryptococcus neoformans from lethal dose gamma irradiation involves changes in melanin's chemical structure and paramagnetism.

Journal: PloS one 20110101

Title: Microsecond analysis of transient molecules using bi-directional capillary electrophoresis.

Journal: Analytical chemistry 20091101

Title: 5-hydroxyindole-2-carboxylic acid amides: novel histamine-3 receptor inverse agonists for the treatment of obesity.

Journal: Journal of medicinal chemistry 20090709

Title: Physico-chemical evaluation of rationally designed melanins as novel nature-inspired radioprotectors.

Journal: PloS one 20090101

Title: Analysis of catecholamines and their metabolites in adrenal gland by liquid chromatography tandem mass spectrometry.

Journal: Analytica chimica acta 20080225

Title: Identification and quantitation of compounds in a series of allelopathic and non-allelopathic rice root exudates.

Journal: Journal of chemical ecology 20040801

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SDS
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