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38464-04-9,MFCD00040785
Catalog No.:AA003IDU

38464-04-9 | 3,4-Diethoxyphenylacetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%(HPLC)
in stock  
$45.00   $32.00
- +
5g
>98.0%(GC)(T)
in stock  
$131.00   $92.00
- +
25g
95%
in stock  
$510.00 $357.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003IDU
Chemical Name:
3,4-Diethoxyphenylacetic acid
CAS Number:
38464-04-9
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD00040785
SMILES:
CCOc1cc(ccc1OCC)CC(=O)O
Properties
Properties
 
BP:
357.2°C at 760 mmHg  
Form:
Solid  
MP:
77-79 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US6794395,2004,B1Locationinpatent:Page/Pagecolumn17

[1]EuropeanJournalofMedicinalChemistry,2009,vol.44,p.1779-1787

[1]Cheng,Kui;Xue,Jia-Yu;Zhu,Hai-Liang[BioorganicandMedicinalChemistryLetters,2013,vol.23,#14,p.4235-4238]

[1]Patent:CN109796351,2019,A

[2]Patent:CN109796351,2019,A

[1]Patent:CN109796351,2019,A

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Quotation Request
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SDS
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Tags:38464-04-9 Molecular Formula|38464-04-9 MDL|38464-04-9 SMILES|38464-04-9 3,4-Diethoxyphenylacetic acid
Catalog No.: AA003IDU
38464-04-9,MFCD00040785
38464-04-9 | 3,4-Diethoxyphenylacetic acid
Pack Size： 1g
Purity： 98%(HPLC)
in stock
$45.00 $32.00
Pack Size： 5g
Purity： >98.0%(GC)(T)
in stock
$131.00 $92.00
Pack Size： 25g
Purity： 95%
in stock
$510.00 $357.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003IDU
Chemical Name: 3,4-Diethoxyphenylacetic acid
CAS Number: 38464-04-9
Molecular Formula: C12H16O4
Molecular Weight: 224.2530
MDL Number: MFCD00040785
SMILES: CCOc1cc(ccc1OCC)CC(=O)O
Properties
BP: 357.2°C at 760 mmHg  
Form: Solid  
MP: 77-79 °C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 217  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
Downstream Synthesis Route
64-67-5    102-32-9    38464-04-9 

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US6794395,2004,B1Locationinpatent:Page/Pagecolumn17

38464-04-9    41873-65-8    1104308-02-2 

[1]EuropeanJournalofMedicinalChemistry,2009,vol.44,p.1779-1787

2103-94-8    38464-04-9    1446490-45-4 

[1]Cheng,Kui;Xue,Jia-Yu;Zhu,Hai-Liang[BioorganicandMedicinalChemistryLetters,2013,vol.23,#14,p.4235-4238]

53207-08-2    38464-04-9 

[1]Patent:CN109796351,2019,A

[2]Patent:CN109796351,2019,A

279262-08-7    38464-04-9 

[1]Patent:CN109796351,2019,A

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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