64920-29-2,MFCD00037533
Catalog No.:AA003Q2F

64920-29-2 | Ethyl 2-oxo-4-phenylbutyrate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
5g
95%
in stock  
$34.00   $24.00
- +
25g
92%
in stock  
$99.00   $69.00
- +
100g
95%
in stock  
$296.00   $207.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003Q2F
Chemical Name:
Ethyl 2-oxo-4-phenylbutyrate
CAS Number:
64920-29-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD00037533
SMILES:
CCOC(=O)C(=O)CCc1ccccc1
Properties
Properties
 
BP:
309°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.504(lit.)  
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:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Literature

Title: Efficient synthesis of a chiral precursor for angiotensin-converting enzyme (ACE) inhibitors in high space-time yield by a new reductase without external cofactors.

Journal: Organic letters 20120420

Title: Engineering cofactor preference of ketone reducing biocatalysts: A mutagenesis study on a γ-diketone reductase from the yeast Saccharomyces cerevisiae serving as an example.

Journal: International journal of molecular sciences 20100101

Title: Effect of ionic liquid [BMIM][PF6] on asymmetric reduction of ethyl 2-oxo-4-phenylbutyrate by Saccharomyces cerevisiae.

Journal: Journal of industrial microbiology & biotechnology 20081101

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SDS
Tags:64920-29-2 Molecular Formula|64920-29-2 MDL|64920-29-2 SMILES|64920-29-2 Ethyl 2-oxo-4-phenylbutyrate
Catalog No.: AA003Q2F
64920-29-2,MFCD00037533
64920-29-2 | Ethyl 2-oxo-4-phenylbutyrate
Pack Size: 1g
Purity: 95%
in stock
$18.00 $13.00
Pack Size: 5g
Purity: 95%
in stock
$34.00 $24.00
Pack Size: 25g
Purity: 92%
in stock
$99.00 $69.00
Pack Size: 100g
Purity: 95%
in stock
$296.00 $207.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003Q2F
Chemical Name: Ethyl 2-oxo-4-phenylbutyrate
CAS Number: 64920-29-2
Molecular Formula: C12H14O3
Molecular Weight: 206.2378
MDL Number: MFCD00037533
SMILES: CCOC(=O)C(=O)CCc1ccccc1
Properties
BP: 309°C at 760 mmHg  
Form: Liquid  
Refractive Index: n20/D 1.504(lit.)  
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: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Literature fold

Title: Efficient synthesis of a chiral precursor for angiotensin-converting enzyme (ACE) inhibitors in high space-time yield by a new reductase without external cofactors.

Journal: Organic letters20120420

Title: Engineering cofactor preference of ketone reducing biocatalysts: A mutagenesis study on a γ-diketone reductase from the yeast Saccharomyces cerevisiae serving as an example.

Journal: International journal of molecular sciences20100101

Title: Effect of ionic liquid [BMIM][PF6] on asymmetric reduction of ethyl 2-oxo-4-phenylbutyrate by Saccharomyces cerevisiae.

Journal: Journal of industrial microbiology & biotechnology20081101

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