87-48-9,MFCD00005719
Catalog No.:AA003MHF

87-48-9 | 5-Bromoisatin

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$6.00   $4.00
- +
5g
98%
in stock  
$7.00   $5.00
- +
10g
98%
in stock  
$10.00   $7.00
- +
25g
98%
in stock  
$21.00   $15.00
- +
100g
98%
in stock  
$70.00   $49.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Application
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003MHF
Chemical Name:
5-Bromoisatin
CAS Number:
87-48-9
Molecular Formula:
C8H4BrNO2
Molecular Weight:
226.0269
MDL Number:
MFCD00005719
SMILES:
Brc1ccc2c(c1)C(=O)C(=O)N2
NSC Number:
4980
Properties
Properties
 
Form:
Solid  
MP:
251-253 °C  
Refractive Index:
1.6120 (estimate)  
Solubility:
Soluble in N,N dimethylformamide.  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
241  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Synonyms
 
  
Upstream Synthesis Route

[1]TetrahedronLetters,2007,vol.48,#14,p.2457-2460

[2]Patent:WO2006/101456,2006,A1,.Locationinpatent:Page/Pagecolumn54-55

[3]Patent:WO2005/63767,2005,A2,.Locationinpatent:Page/Pagecolumn39-40

[4]Patent:WO2006/69097,2006,A2,.Locationinpatent:Page/Pagecolumn37

[5]Patent:WO2004/29050,2004,A1,.Locationinpatent:Page74

[6]Patent:EP2565192,2013,A1,.Locationinpatent:Paragraph0363

[1]JournaloftheChemicalSociety,1948,p.106,108

[2]JournaloftheChemicalSociety,1948,p.106,108

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,#7,p.2000-2007

[2]Patent:WO2011/87837,2011,A2,.Locationinpatent:Page/Pagecolumn30-31

[3]Patent:WO2012/87372,2012,A1,.Locationinpatent:Page/Pagecolumn30-31

[1]JournalofOrganicChemistry,1953,vol.18,p.552,553

[1]Chemistry-AnAsianJournal,2017,vol.12,#7,p.734-743

Downstream Synthesis Route
3350-30-9    87-48-9   
2-bromo-7,8,9,10,11,12-hexahydro-6<i>H</i>-cyclonona<i>b</i>quinoline-13-carboxylicacid 

[1]BulletindelaSocieteChimiquedeFrance,1958,p.1567

[1]JournaloftheChemicalSociety,1952,p.279

2700-47-2    87-48-9   
6-bromo-2-(6-methoxy-2naphthyl)-3-methyl-quinoline-4-carboxylicacid 

[1]RecueildesTravauxChimiquesdesPays-Bas,1949,vol.68,p.781,785

[1]RecueildesTravauxChimiquesdesPays-Bas,1949,vol.68,p.781,785

2001-29-8    87-48-9   
6-bromo-2-(4-bromo-phenyl)-3-phenyl-quinoline-4-carboxylicacid 

[1]JournalofOrganicChemistry,1953,vol.18,p.1209,1219

Literature

Title: 5-Bromo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-2,3-dione.

Journal: Acta crystallographica. Section E, Structure reports online 20120101

Title: Synthesis and anticancer activity of isatin-based pyrazolines and thiazolidines conjugates.

Journal: Archiv der Pharmazie 20110801

Title: 1-(5-Bromo-2-oxoindolin-3-yl-idene)thio-semicarbazide acetonitrile monosolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: Synthesis characterization and biological activity study of new schiff and mannich bases and some metal complexes derived from isatin and dithiooxamide.

Journal: Bioinorganic chemistry and applications 20110101

Title: QSAR study of isatin analogues as in vitro anti-cancer agents.

Journal: European journal of medicinal chemistry 20100301

Title: Investigation of trypanothione reductase as a drug target in Trypanosoma brucei.

Journal: ChemMedChem 20091207

Title: Design, Synthesis and antiHIV activity of Novel Isatine-Sulphonamides.

Journal: Indian journal of pharmaceutical sciences 20080101

Title: Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.

Journal: Journal of medicinal chemistry 20070419

Title: In vitro cytotoxicity evaluation of some substituted isatin derivatives.

Journal: Bioorganic & medicinal chemistry 20070115

Title: Synthesis and evaluation of isatins and thiosemicarbazone derivatives against cruzain, falcipain-2 and rhodesain.

Journal: Bioorganic & medicinal chemistry letters 20031020

Application
5-Bromoisatin serves as a versatile building block in organic synthesis, enabling the preparation of various derivatives and compounds. It is commonly utilized in the synthesis of N-derivatives of 5-bromoisatin, N-substituted pyrroles, linear polyaryleneoxindoles, 5-bromodioxindole, cinchoninic acid derivatives, 3-hydroxyoxindole, S-benzyldithiocarbazate Schiff Bases, and 5-bromooxindole. These compounds find applications in diverse areas such as pharmaceuticals, materials science, and organic chemistry.
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SDS
Tags:87-48-9 Molecular Formula|87-48-9 MDL|87-48-9 SMILES|87-48-9 5-Bromoisatin
Catalog No.: AA003MHF
87-48-9,MFCD00005719
87-48-9 | 5-Bromoisatin
Pack Size: 1g
Purity: 98%
in stock
$6.00 $4.00
Pack Size: 5g
Purity: 98%
in stock
$7.00 $5.00
Pack Size: 10g
Purity: 98%
in stock
$10.00 $7.00
Pack Size: 25g
Purity: 98%
in stock
$21.00 $15.00
Pack Size: 100g
Purity: 98%
in stock
$70.00 $49.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003MHF
Chemical Name: 5-Bromoisatin
CAS Number: 87-48-9
Molecular Formula: C8H4BrNO2
Molecular Weight: 226.0269
MDL Number: MFCD00005719
SMILES: Brc1ccc2c(c1)C(=O)C(=O)N2
NSC Number: 4980
Properties
Form: Solid  
MP: 251-253 °C  
Refractive Index: 1.6120 (estimate)  
Solubility: Soluble in N,N dimethylformamide.  
Storage: Keep in dry area;Room Temperature;  
Complexity: 241  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
105:   
Upstream Synthesis Route
87-48-9    1077-94-7 

[1]TetrahedronLetters,2007,vol.48,#14,p.2457-2460

[2]Patent:WO2006/101456,2006,A1,.Locationinpatent:Page/Pagecolumn54-55

[3]Patent:WO2005/63767,2005,A2,.Locationinpatent:Page/Pagecolumn39-40

[4]Patent:WO2006/69097,2006,A2,.Locationinpatent:Page/Pagecolumn37

[5]Patent:WO2004/29050,2004,A1,.Locationinpatent:Page74

[6]Patent:EP2565192,2013,A1,.Locationinpatent:Paragraph0363

87-48-9    877-42-9 

[1]JournaloftheChemicalSociety,1948,p.106,108

[2]JournaloftheChemicalSociety,1948,p.106,108

1113-59-3    87-48-9    552330-94-6 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,#7,p.2000-2007

[2]Patent:WO2011/87837,2011,A2,.Locationinpatent:Page/Pagecolumn30-31

[3]Patent:WO2012/87372,2012,A1,.Locationinpatent:Page/Pagecolumn30-31

87-48-9    552330-94-6 

[1]JournalofOrganicChemistry,1953,vol.18,p.552,553

87-48-9    74-88-4    20870-90-0 

[1]Chemistry-AnAsianJournal,2017,vol.12,#7,p.734-743

Downstream Synthesis Route
3350-30-9    87-48-9   
2-bromo-7,8,9,10,11,12-hexahydro-6<i>H</i>-cyclonona<i>b</i>quinoline-13-carboxylicacid 

[1]BulletindelaSocieteChimiquedeFrance,1958,p.1567

26673-32-5    87-48-9    672287-58-0 

[1]JournaloftheChemicalSociety,1952,p.279

2700-47-2    87-48-9   
6-bromo-2-(6-methoxy-2naphthyl)-3-methyl-quinoline-4-carboxylicacid 

[1]RecueildesTravauxChimiquesdesPays-Bas,1949,vol.68,p.781,785

347-84-2    87-48-9    361-28-4 

[1]RecueildesTravauxChimiquesdesPays-Bas,1949,vol.68,p.781,785

2001-29-8    87-48-9   
6-bromo-2-(4-bromo-phenyl)-3-phenyl-quinoline-4-carboxylicacid 

[1]JournalofOrganicChemistry,1953,vol.18,p.1209,1219

Literature fold

Title: 5-Bromo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-2,3-dione.

Journal: Acta crystallographica. Section E, Structure reports online20120101

Title: Synthesis and anticancer activity of isatin-based pyrazolines and thiazolidines conjugates.

Journal: Archiv der Pharmazie20110801

Title: 1-(5-Bromo-2-oxoindolin-3-yl-idene)thio-semicarbazide acetonitrile monosolvate.

Journal: Acta crystallographica. Section E, Structure reports online20110701

Title: Synthesis characterization and biological activity study of new schiff and mannich bases and some metal complexes derived from isatin and dithiooxamide.

Journal: Bioinorganic chemistry and applications20110101

Title: QSAR study of isatin analogues as in vitro anti-cancer agents.

Journal: European journal of medicinal chemistry20100301

Title: Investigation of trypanothione reductase as a drug target in Trypanosoma brucei.

Journal: ChemMedChem20091207

Title: Design, Synthesis and antiHIV activity of Novel Isatine-Sulphonamides.

Journal: Indian journal of pharmaceutical sciences20080101

Title: Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.

Journal: Journal of medicinal chemistry20070419

Title: In vitro cytotoxicity evaluation of some substituted isatin derivatives.

Journal: Bioorganic & medicinal chemistry20070115

Title: Synthesis and evaluation of isatins and thiosemicarbazone derivatives against cruzain, falcipain-2 and rhodesain.

Journal: Bioorganic & medicinal chemistry letters20031020

Application fold
5-Bromoisatin serves as a versatile building block in organic synthesis, enabling the preparation of various derivatives and compounds. It is commonly utilized in the synthesis of N-derivatives of 5-bromoisatin, N-substituted pyrroles, linear polyaryleneoxindoles, 5-bromodioxindole, cinchoninic acid derivatives, 3-hydroxyoxindole, S-benzyldithiocarbazate Schiff Bases, and 5-bromooxindole. These compounds find applications in diverse areas such as pharmaceuticals, materials science, and organic chemistry.
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