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107859-98-3,MFCD09028871
Catalog No.:AA007VHX

107859-98-3 | Ethyl 3-(4-(hydroxymethyl)phenyl)propanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$47.00   $33.00
- +
5g
95%
in stock  
$834.00 $584.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007VHX
Chemical Name:
Ethyl 3-(4-(hydroxymethyl)phenyl)propanoate
CAS Number:
107859-98-3
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD09028871
SMILES:
CCOC(=O)CCc1ccc(cc1)CO
Properties
Computed Properties
 
Complexity:
183  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Upstream Synthesis Route

[1]Patent:WO2016/57731,2016,A1,.Locationinpatent:Page/Pagecolumn173

[2]Patent:US2017/290800,2017,A1,.Locationinpatent:Paragraph0728

[3]Patent:EP1785421,2007,A1,.Locationinpatent:Page/Pagecolumn36

[1]JournalofMedicinalChemistry,2016,vol.59,#19,p.8967-9004

[2]Patent:WO2014/131855,2014,A1,.Locationinpatent:Page/Pagecolumn64

[1]Patent:WO2005/75438,2005,A1,.Locationinpatent:Page/Pagecolumn22

[1]Patent:US4803211,1989,A,

[1]Patent:WO2014/131855,2014,A1,

[2]JournalofMedicinalChemistry,2016,vol.59,#19,p.8967-9004

Downstream Synthesis Route
107859-98-3   
3-(4-chloromethylphenyl)propionicacidethylester 

[1]Patent:WO2004/14859,2004,A2.Locationinpatent:Page23

[2]Patent:WO2005/75438,2005,A1.Locationinpatent:Page/Pagecolumn22

3-(4-hydroxymethylphenyl)acrylicacidethylester 
  107859-98-3 

[1]Patent:WO2004/14859,2004,A2.Locationinpatent:Page23

[1]Patent:WO2005/75438,2005,A1.Locationinpatent:Page/Pagecolumn22

[1]Patent:US4803211,1989,A

Literature
Quotation Request
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SDS
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Tags:107859-98-3 Molecular Formula|107859-98-3 MDL|107859-98-3 SMILES|107859-98-3 Ethyl 3-(4-(hydroxymethyl)phenyl)propanoate
Catalog No.: AA007VHX
107859-98-3,MFCD09028871
107859-98-3 | Ethyl 3-(4-(hydroxymethyl)phenyl)propanoate
Pack Size： 250mg
Purity： 95%
in stock
$47.00 $33.00
Pack Size： 5g
Purity： 95%
in stock
$834.00 $584.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007VHX
Chemical Name: Ethyl 3-(4-(hydroxymethyl)phenyl)propanoate
CAS Number: 107859-98-3
Molecular Formula: C12H16O3
Molecular Weight: 208.2536
MDL Number: MFCD09028871
SMILES: CCOC(=O)CCc1ccc(cc1)CO
Properties
Complexity: 183  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Upstream Synthesis Route
51828-89-8    107859-98-3 

[1]Patent:WO2016/57731,2016,A1,.Locationinpatent:Page/Pagecolumn173

[2]Patent:US2017/290800,2017,A1,.Locationinpatent:Paragraph0728

[3]Patent:EP1785421,2007,A1,.Locationinpatent:Page/Pagecolumn36

445483-72-7    107859-98-3 

[1]JournalofMedicinalChemistry,2016,vol.59,#19,p.8967-9004

[2]Patent:WO2014/131855,2014,A1,.Locationinpatent:Page/Pagecolumn64

864653-88-3    107859-98-3 

[1]Patent:WO2005/75438,2005,A1,.Locationinpatent:Page/Pagecolumn22

7560-50-1    107859-98-3 

[1]Patent:US4803211,1989,A,

1122-91-4    107859-98-3 

[1]Patent:WO2014/131855,2014,A1,

[2]JournalofMedicinalChemistry,2016,vol.59,#19,p.8967-9004

Downstream Synthesis Route
107859-98-3   
3-(4-chloromethylphenyl)propionicacidethylester 

[1]Patent:WO2004/14859,2004,A2.Locationinpatent:Page23

[2]Patent:WO2005/75438,2005,A1.Locationinpatent:Page/Pagecolumn22

3-(4-hydroxymethylphenyl)acrylicacidethylester 
  107859-98-3 

[1]Patent:WO2004/14859,2004,A2.Locationinpatent:Page23

864653-88-3    107859-98-3 

[1]Patent:WO2005/75438,2005,A1.Locationinpatent:Page/Pagecolumn22

7560-50-1    107859-98-3 

[1]Patent:US4803211,1989,A

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