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30913-87-2,MFCD00672068
Catalog No.:AA0031KD

30913-87-2 | Ethyl 4-(4-bromophenyl)-4-oxobutanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$6.00   $4.00
- +
1g
96%
in stock  
$9.00   $7.00
- +
5g
96%
in stock  
$33.00   $23.00
- +
25g
96%
in stock  
$117.00   $82.00
- +
100g
96%
in stock  
$454.00   $318.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0031KD
Chemical Name:
Ethyl 4-(4-bromophenyl)-4-oxobutanoate
CAS Number:
30913-87-2
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
MDL Number:
MFCD00672068
SMILES:
CCOC(=O)CCC(=O)c1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
245  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
6  
XLogP3:
2.4  

Upstream Synthesis Route

[1]Patent:CN105130725,2018,B,.Locationinpatent:Paragraph0114;0115;0116

[1]BioorganicandMedicinalChemistry,2008,vol.16,#4,p.1648-1657

[2]JournalofMedicinalChemistry,2006,vol.49,#2,p.456-458

[3]JournalofOrganicChemistry,2001,vol.66,#22,p.7283-7286

[1]TetrahedronLetters,1988,vol.29,#12,p.1457-1460

[1]TetrahedronLetters,1988,vol.29,#12,p.1457-1460

[2]TetrahedronLetters,1988,vol.29,#12,p.1457-1460

[1]ChemicalCommunications,2015,vol.51,#79,p.14728-14731

Downstream Synthesis Route

[1]ChemistryLetters,1998,p.881-882

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.1648-1657

[2]JournalofMedicinalChemistry,2006,vol.49,p.456-458

[3]JournalofOrganicChemistry,2001,vol.66,p.7283-7286

[4]Patent:CN113087748,2021,A.Locationinpatent:Paragraph0051;0053;0056

Literature
Quotation Request
Company Name:
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Email:
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Quantity Required:
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Additional Info:
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SDS
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Tags:30913-87-2 Molecular Formula|30913-87-2 MDL|30913-87-2 SMILES|30913-87-2 Ethyl 4-(4-bromophenyl)-4-oxobutanoate
Catalog No.: AA0031KD
30913-87-2,MFCD00672068
30913-87-2 | Ethyl 4-(4-bromophenyl)-4-oxobutanoate
Pack Size： 250mg
Purity： 96%
in stock
$6.00 $4.00
Pack Size： 1g
Purity： 96%
in stock
$9.00 $7.00
Pack Size： 5g
Purity： 96%
in stock
$33.00 $23.00
Pack Size： 25g
Purity： 96%
in stock
$117.00 $82.00
Pack Size： 100g
Purity： 96%
in stock
$454.00 $318.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0031KD
Chemical Name: Ethyl 4-(4-bromophenyl)-4-oxobutanoate
CAS Number: 30913-87-2
Molecular Formula: C12H13BrO3
Molecular Weight: 285.1338
MDL Number: MFCD00672068
SMILES: CCOC(=O)CCC(=O)c1ccc(cc1)Br
Properties
Complexity: 245  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Rotatable Bond Count: 6  
XLogP3: 2.4  
Upstream Synthesis Route
2039-82-9    30913-87-2 

[1]Patent:CN105130725,2018,B,.Locationinpatent:Paragraph0114;0115;0116

64-17-5    6340-79-0    30913-87-2 

[1]BioorganicandMedicinalChemistry,2008,vol.16,#4,p.1648-1657

[2]JournalofMedicinalChemistry,2006,vol.49,#2,p.456-458

[3]JournalofOrganicChemistry,2001,vol.66,#22,p.7283-7286

35338-15-9    30913-87-2 

[1]TetrahedronLetters,1988,vol.29,#12,p.1457-1460

117937-01-6    30913-87-2 

[1]TetrahedronLetters,1988,vol.29,#12,p.1457-1460

[2]TetrahedronLetters,1988,vol.29,#12,p.1457-1460

623-73-4    2039-82-9    30913-87-2 

[1]ChemicalCommunications,2015,vol.51,#79,p.14728-14731

Downstream Synthesis Route
6414-69-3    586-75-4    30913-87-2 

[1]ChemistryLetters,1998,p.881-882

64-17-5    6340-79-0    30913-87-2 

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.1648-1657

[2]JournalofMedicinalChemistry,2006,vol.49,p.456-458

[3]JournalofOrganicChemistry,2001,vol.66,p.7283-7286

[4]Patent:CN113087748,2021,A.Locationinpatent:Paragraph0051;0053;0056

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