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4743-58-2,MFCD00051729
Catalog No.:AA003TOU

4743-58-2 | 2-(3-Oxo-1,3-dihydroisobenzofuran-1-yl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$34.00   $24.00
- +
5g
95%
in stock  
$100.00   $70.00
- +
25g
95%
in stock  
$200.00   $140.00
- +
100g
95%
in stock  
$566.00   $397.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003TOU
Chemical Name:
2-(3-Oxo-1,3-dihydroisobenzofuran-1-yl)acetic acid
CAS Number:
4743-58-2
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
MDL Number:
MFCD00051729
SMILES:
OC(=O)CC1OC(=O)c2c1cccc2
Properties
Properties
 
BP:
440.1°C at 760 mmHg  
Form:
Solid  
MP:
151-152℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
261  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.5  

Downstream Synthesis Route
1-methoxy-2-naphthaldehydetosylhydrazone 
  4743-58-2    18454-53-0    883-21-6 

[1]Giurg;Syper;Mlochowski[PolishJournalofChemistry,2004,vol.78,#2,p.231-238]

[1]Patent:CN106831389,2017,A.Locationinpatent:Paragraph0113;0206-0208

[2]ACSCatalysis,2017,vol.7,p.7520-7528

4743-58-2    4720-72-3   
C18H12N2O5 

[1]Ruan,Banfeng;Tang,Xiaofei;Guo,Weiyun;Hu,Yong;Chen,Liuzeng[Chemistryandbiodiversity,2022]

4743-58-2    73647-50-4   
C18H14N2O4 

[1]Ruan,Banfeng;Tang,Xiaofei;Guo,Weiyun;Hu,Yong;Chen,Liuzeng[Chemistryandbiodiversity,2022,vol.19,#8]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:4743-58-2 Molecular Formula|4743-58-2 MDL|4743-58-2 SMILES|4743-58-2 2-(3-Oxo-1,3-dihydroisobenzofuran-1-yl)acetic acid
Catalog No.: AA003TOU
4743-58-2,MFCD00051729
4743-58-2 | 2-(3-Oxo-1,3-dihydroisobenzofuran-1-yl)acetic acid
Pack Size： 1g
Purity： 95%
in stock
$34.00 $24.00
Pack Size： 5g
Purity： 95%
in stock
$100.00 $70.00
Pack Size： 25g
Purity： 95%
in stock
$200.00 $140.00
Pack Size： 100g
Purity： 95%
in stock
$566.00 $397.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA003TOU
Chemical Name: 2-(3-Oxo-1,3-dihydroisobenzofuran-1-yl)acetic acid
CAS Number: 4743-58-2
Molecular Formula: C10H8O4
Molecular Weight: 192.1681
MDL Number: MFCD00051729
SMILES: OC(=O)CC1OC(=O)c2c1cccc2
Properties
BP: 440.1°C at 760 mmHg  
Form: Solid  
MP: 151-152℃  
Storage: Keep in dry area;2-8℃;  
Complexity: 261  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 1  
XLogP3: 0.5  
Downstream Synthesis Route
1-methoxy-2-naphthaldehydetosylhydrazone 
  4743-58-2    18454-53-0    883-21-6 

[1]Giurg;Syper;Mlochowski[PolishJournalofChemistry,2004,vol.78,#2,p.231-238]

4743-58-2    776-79-4 

[1]Patent:CN106831389,2017,A.Locationinpatent:Paragraph0113;0206-0208

[2]ACSCatalysis,2017,vol.7,p.7520-7528

4743-58-2    4720-72-3   
C18H12N2O5 

[1]Ruan,Banfeng;Tang,Xiaofei;Guo,Weiyun;Hu,Yong;Chen,Liuzeng[Chemistryandbiodiversity,2022]

4743-58-2    73647-50-4   
C18H14N2O4 

[1]Ruan,Banfeng;Tang,Xiaofei;Guo,Weiyun;Hu,Yong;Chen,Liuzeng[Chemistryandbiodiversity,2022,vol.19,#8]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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