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5585-96-6,MFCD00010678
Catalog No.:AA003LHA

5585-96-6 | 4-Acetoxyindole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$12.00   $8.00
- +
1g
98%
in stock  
$13.00   $9.00
- +
5g
≥98%
in stock  
$46.00   $32.00
- +
10g
98%
in stock  
$56.00   $39.00
- +
25g
98%
in stock  
$108.00   $75.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Application
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003LHA
Chemical Name:
4-Acetoxyindole
CAS Number:
5585-96-6
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00010678
SMILES:
CC(=O)Oc1cccc2c1cc[nH]2
Properties
Properties
 
BP:
339.1°C at 760 mmHg  
Form:
Solid  
MP:
100-102 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
205  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Downstream Synthesis Route

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

[1]JournalofHeterocyclicChemistry,1977,vol.14,p.71-74

[1]JournalofHeterocyclicChemistry,1981,vol.18,p.175-179

[1]JournalofHeterocyclicChemistry,1981,vol.18,p.175-179

[1]JournalofHeterocyclicChemistry,1981,vol.18,p.175-179

Literature

Title: Indolealkylamines: biotransformations and potential drug-drug interactions.

Journal: The AAPS journal 20080601

Application
4-Indolyl acetate serves as a standard in chromatographic protocols and is utilized in the synthesis of various compounds, including inhibitors of HIV-1 attachment, prostanoid EP3 receptor antagonists, indolyl-nitroalkanes, and psilocybin, offering diverse applications in medicinal chemistry and analytical chemistry.
Quotation Request
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SDS
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Tags:5585-96-6 Molecular Formula|5585-96-6 MDL|5585-96-6 SMILES|5585-96-6 4-Acetoxyindole
Catalog No.: AA003LHA
5585-96-6,MFCD00010678
5585-96-6 | 4-Acetoxyindole
Pack Size： 250mg
Purity： 98%
in stock
$12.00 $8.00
Pack Size： 1g
Purity： 98%
in stock
$13.00 $9.00
Pack Size： 5g
Purity： ≥98%
in stock
$46.00 $32.00
Pack Size： 10g
Purity： 98%
in stock
$56.00 $39.00
Pack Size： 25g
Purity： 98%
in stock
$108.00 $75.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003LHA
Chemical Name: 4-Acetoxyindole
CAS Number: 5585-96-6
Molecular Formula: C10H9NO2
Molecular Weight: 175.1840
MDL Number: MFCD00010678
SMILES: CC(=O)Oc1cccc2c1cc[nH]2
Properties
BP: 339.1°C at 760 mmHg  
Form: Solid  
MP: 100-102 °C  
Storage: Keep in dry area;2-8℃;  
Complexity: 205  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Downstream Synthesis Route
5585-96-6    2380-94-1 

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

110-91-8    79-37-8    5585-96-6    63065-87-2 

[1]JournalofHeterocyclicChemistry,1977,vol.14,p.71-74

109-01-3    79-37-8    5585-96-6    77872-37-8 

[1]JournalofHeterocyclicChemistry,1981,vol.18,p.175-179

771-99-3    79-37-8    5585-96-6    77872-35-6 

[1]JournalofHeterocyclicChemistry,1981,vol.18,p.175-179

110-68-9    79-37-8    5585-96-6    77872-29-8 

[1]JournalofHeterocyclicChemistry,1981,vol.18,p.175-179

Literature fold

Title: Indolealkylamines: biotransformations and potential drug-drug interactions.

Journal: The AAPS journal20080601

Application fold 
4-Indolyl acetate serves as a standard in chromatographic protocols and is utilized in the synthesis of various compounds, including inhibitors of HIV-1 attachment, prostanoid EP3 receptor antagonists, indolyl-nitroalkanes, and psilocybin, offering diverse applications in medicinal chemistry and analytical chemistry.
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