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438565-33-4,MFCD04124289
Catalog No.:AA003HXS

438565-33-4 | [3-(2-Chloro-phenyl)-isoxazol-5-yl]-methanol

Pack Size
Purity
Availability
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Quantity
  
250mg
≥ 97% (HPLC)
in stock  
$156.00   $110.00
- +
1g
≥ 97% (HPLC)
in stock  
$298.00   $209.00
- +
5g
≥ 97% (HPLC)
in stock  
$730.00   $511.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HXS
Chemical Name:
[3-(2-Chloro-phenyl)-isoxazol-5-yl]-methanol
CAS Number:
438565-33-4
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD04124289
SMILES:
OCc1onc(c1)c1ccccc1Cl
Properties
Properties
 
BP:
370.5°C at 760 mmHg  
Form:
Solid  
MP:
73-76 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
191  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.8  

Downstream Synthesis Route
3-(2-chlorophenyl)-5-(polyethyleneglycol-OCOCH2CH2COOCH2)isoxazole 
  438565-33-4 

[1]Shang,Yong-Jia;Wang,Yan-Guang[TetrahedronLetters,2002,vol.43,#12,p.2247-2249]

[1]Wang,Xi-Zhao;Jia,Jiong;Zhang,Yan;Xu,Wei-Ren;Liu,Wei;Shi,Fang-Niu;Wang,Jian-Wu[JournaloftheChineseChemicalSociety,2007,vol.54,#3,p.643-652]

[2]Shang,Yong-Jia;Wang,Yan-Guang[Synthesis,2002,#12,p.1663-1668]

[3]CurrentPatentAssignee:PFIZERINC-WO2010/80864,2010,A1Locationinpatent:Page/Pagecolumn108

[4]Locationinpatent:experimentalpartShen,Chuansheng;Zhang,Yumin;Gan,Yuanming;Zhao,Tianqi;Gu,Qiang[LettersinOrganicChemistry,2011,vol.8,#4,p.278-281]

438565-33-4   
3-(2-chlorophenyl)-5-isoxazolylcarboxylicacid 

[1]Wang,Xi-Zhao;Jia,Jiong;Zhang,Yan;Xu,Wei-Ren;Liu,Wei;Shi,Fang-Niu;Wang,Jian-Wu[JournaloftheChineseChemicalSociety,2007,vol.54,#3,p.643-652]

(E)-2-chlorobenzaldehydeoxime 
  438565-33-4 

[1]Shang,Yong-Jia;Wang,Yan-Guang[Synthesis,2002,#12,p.1663-1668]

[1]CurrentPatentAssignee:PFIZERINC-WO2010/80864,2010,A1Locationinpatent:Page/Pagecolumn164-165

Literature
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SDS
Tags:438565-33-4 Molecular Formula|438565-33-4 MDL|438565-33-4 SMILES|438565-33-4 [3-(2-Chloro-phenyl)-isoxazol-5-yl]-methanol |Halogenated_Heterocycles