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21169-71-1,MFCD00156151
Catalog No.:AA003R34

21169-71-1 | Isoxazole-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
10g
>97%
in stock  
$37.00   $26.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003R34
Chemical Name:
Isoxazole-5-carboxylic acid
CAS Number:
21169-71-1
Molecular Formula:
C4H3NO3
Molecular Weight:
113.0715
MDL Number:
MFCD00156151
SMILES:
OC(=O)c1ccno1
Properties
Properties
 
BP:
321.2°C at 760 mmHg  
Form:
Solid  
MP:
144-148 °C(lit.)  
Refractive Index:
1.4543 (estimate)  
Stability:
Moisture Sensitive  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
104  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.2  

Upstream Synthesis Route

[1]Patent:WO2014/143799,2014,A2,.Locationinpatent:Page/Pagecolumn400;401

[2]Patent:WO2013/30138,2013,A1,.Locationinpatent:Page/Pagecolumn153;15415

[1]JournaloftheAmericanChemicalSociety,2010,vol.132,#26,p.8858-8859

[1]TetrahedronLetters,2000,vol.41,#3,p.293-297

[1]Farmaco,1998,vol.53,#7,p.513-518

[1]Synthesis,1986,vol.NO.1,p.69-70

Downstream Synthesis Route

[1]Synthesis,1986,vol.NO.1,p.69-70

Fmoc-D,L-Hcy(Trt)-OH 
  21169-71-1    86123-10-6   
2-{2-(isoxazole-5-carbonyl)-amino-4-mercapto-butyrylamino}-3-phenyl-propionicacid 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.5169-5175

[1]Patent:WO2007/124546,2007,A1.Locationinpatent:Page/Pagecolumn61

21169-71-1    543682-79-7   
N-5(S)-3-4-(1-cyanocyclopropan-1-yl)phenyl-2-oxooxazolidin-5-ylmethylisoxazole-5-carboxamide 

[1]Patent:US2003/225107,2003,A1.Locationinpatent:Page35

[1]Patent:US6350757,2002,B1.Locationinpatent:Pagecolumn27

Literature

Title: rac-Ethyl 6-hy-droxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7-hexa-hydro-benzo[c][1,2]oxazole-5-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20111101

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SDS
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Tags:21169-71-1 Molecular Formula|21169-71-1 MDL|21169-71-1 SMILES|21169-71-1 Isoxazole-5-carboxylic acid
Catalog No.: AA003R34
21169-71-1,MFCD00156151
21169-71-1 | Isoxazole-5-carboxylic acid
Pack Size： 1g
Purity： 95%
in stock
$18.00 $13.00
Pack Size： 10g
Purity： >97%
in stock
$37.00 $26.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003R34
Chemical Name: Isoxazole-5-carboxylic acid
CAS Number: 21169-71-1
Molecular Formula: C4H3NO3
Molecular Weight: 113.0715
MDL Number: MFCD00156151
SMILES: OC(=O)c1ccno1
Properties
BP: 321.2°C at 760 mmHg  
Form: Solid  
MP: 144-148 °C(lit.)  
Refractive Index: 1.4543 (estimate)  
Stability: Moisture Sensitive  
Storage: Keep in dry area;Room Temperature;  
Complexity: 104  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 8  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.2  
Upstream Synthesis Route
21169-71-1    98019-60-4 

[1]Patent:WO2014/143799,2014,A2,.Locationinpatent:Page/Pagecolumn400;401

[2]Patent:WO2013/30138,2013,A1,.Locationinpatent:Page/Pagecolumn153;15415

288-14-2    124-38-9    21169-71-1 

[1]JournaloftheAmericanChemicalSociety,2010,vol.132,#26,p.8858-8859

59938-07-7    21169-71-1 

[1]TetrahedronLetters,2000,vol.41,#3,p.293-297

5765-44-6    21169-71-1 

[1]Farmaco,1998,vol.53,#7,p.513-518

34648-11-8    21169-71-1 

[1]Synthesis,1986,vol.NO.1,p.69-70

Downstream Synthesis Route
34648-11-8    21169-71-1 

[1]Synthesis,1986,vol.NO.1,p.69-70

Fmoc-D,L-Hcy(Trt)-OH 
  21169-71-1    86123-10-6   
2-{2-(isoxazole-5-carbonyl)-amino-4-mercapto-butyrylamino}-3-phenyl-propionicacid 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.5169-5175

67-56-1    21169-71-1    15055-81-9 

[1]Patent:WO2007/124546,2007,A1.Locationinpatent:Page/Pagecolumn61

21169-71-1    543682-79-7   
N-5(S)-3-4-(1-cyanocyclopropan-1-yl)phenyl-2-oxooxazolidin-5-ylmethylisoxazole-5-carboxamide 

[1]Patent:US2003/225107,2003,A1.Locationinpatent:Page35

21169-71-1    320780-86-7    320781-52-0 

[1]Patent:US6350757,2002,B1.Locationinpatent:Pagecolumn27

Literature fold

Title: rac-Ethyl 6-hy-droxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7-hexa-hydro-benzo[c][1,2]oxazole-5-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online20111101

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