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114012-42-9,MFCD20659492
Catalog No.:AA000A7J

114012-42-9 | 3-Phenyloxetane-3-carboxylic acid

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100mg
95%
in stock  
$311.00   $218.00
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250mg
95%
in stock  
$514.00   $360.00
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1g
95%
in stock  
$1,341.00   $939.00
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5g
95%
in stock  
$4,118.00   $2,883.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA000A7J
Chemical Name:
3-Phenyloxetane-3-carboxylic acid
CAS Number:
114012-42-9
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD20659492
SMILES:
OC(=O)C1(COC1)c1ccccc1
Properties
Computed Properties
 
Complexity:
202  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
0.9  

Downstream Synthesis Route
114012-42-9   
2-((1R,2R)-2-aminocyclohexyl)-6-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)isoindolin-1-onehydrochloride 
 
N-((1R,2R)-2-(1-oxo-6-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)-1,3-dihydro-2H-isoindol-2-yl)cyclohexyl)-3-phenyloxetane-3-carboxamide 

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2017/15655,2017,A1Locationinpatent:Paragraph1289-1290

114012-42-9   
valineethylesterhydrochloride 
 
ethyl(3-phenyloxetane-3-carbonyl)valinate 

[1]Bull,JamesA.;Choi,Chulho;Dubois,MaryneA.J.;LeeWeiJie,Alvin;Mousseau,JamesJ.;Smith,MiloA.;White,AndrewJ.P.[OrganicLetters,2020,vol.22,#14,p.5279-5283]

4-(3-(5-methylfuran-2-yl)oxetan-3-yl)phenol 
  114012-42-9 

[1]Bull,JamesA.;Choi,Chulho;Dubois,MaryneA.J.;LeeWeiJie,Alvin;Mousseau,JamesJ.;Smith,MiloA.;White,AndrewJ.P.[OrganicLetters,2020,vol.22,#14,p.5279-5283]

4-(3-(5-methylfuran-2-yl)oxetan-3-yl)phenyltrifluoromethanesulfonate 
  114012-42-9 

[1]Bull,JamesA.;Choi,Chulho;Dubois,MaryneA.J.;LeeWeiJie,Alvin;Mousseau,JamesJ.;Smith,MiloA.;White,AndrewJ.P.[OrganicLetters,2020,vol.22,#14,p.5279-5283]

Literature
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SDS
Tags:114012-42-9 Molecular Formula|114012-42-9 MDL|114012-42-9 SMILES|114012-42-9 3-Phenyloxetane-3-carboxylic acid