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Home Bromides 35158-39-5
35158-39-5,MFCD00075813
Catalog No.:AA007FI3

35158-39-5 | 3-Bromo-4-(4-chlorophenyl)-4-oxobutanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$195.00   $137.00
- +
100mg
95%
3 weeks  
$234.00   $164.00
- +
250mg
95%
3 weeks  
$286.00   $200.00
- +
500mg
95%
3 weeks  
$384.00   $269.00
- +
1g
95%
3 weeks  
$459.00   $322.00
- +
2.5g
95%
3 weeks  
$790.00   $553.00
- +
5g
95%
3 weeks  
$1,108.00   $775.00
- +
10g
95%
3 weeks  
$1,588.00   $1,112.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007FI3
Chemical Name:
3-Bromo-4-(4-chlorophenyl)-4-oxobutanoic acid
CAS Number:
35158-39-5
Molecular Formula:
C10H8BrClO3
Molecular Weight:
291.5257
MDL Number:
MFCD00075813
SMILES:
BrC(C(=O)c1ccc(cc1)Cl)CC(=O)O
Properties
Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:UNIVERSITYOFWISCONSINSYSTEM;WARF(in:UniversityofWisconsin)-US2017/258805,2017,A1Locationinpatent:Paragraph0381;0382

[2]Knott[JournaloftheChemicalSociety,1945,p.455,457]

[3]Bolognese,A.;Scherillo,G.[JournalofOrganicChemistry,1977,vol.42,p.3867-3869]

[4]Pillay,M.Krishna;Banumathi,K.[JournalofChemicalResearch,Miniprint,1997,#7,p.1601-1614]

[5]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US4596816,1986,A

[6]CurrentPatentAssignee:7TMPHARMAAS-WO2007/62797,2007,A1Locationinpatent:Page/Pagecolumn25-26

[7]Locationinpatent:schemeortableRist,ystein;Grimstrup,Marie;Receveur,Jean-Marie;Frimurer,ThomasM.;Ulven,Trond;Kostenis,Evi;Hoegberg,Thomas[BioorganicandMedicinalChemistryLetters,2010,vol.20,#3,p.1177-1180]

[1]JournalofMedicinalChemistry,1974,vol.17,p.1177-1181

[1]Newberry,R.A.etal.[JournalofMedicinalChemistry,1974,vol.17,p.1177-1181]

[1]Newberry,R.A.etal.[JournalofMedicinalChemistry,1974,vol.17,p.1177-1181]

[1]JournalofMedicinalChemistry,1974,vol.17,p.1177-1181

Literature
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SDS
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Tags:35158-39-5 Molecular Formula|35158-39-5 MDL|35158-39-5 SMILES|35158-39-5 3-Bromo-4-(4-chlorophenyl)-4-oxobutanoic acid