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20896-23-5,MFCD00219865
Catalog No.:AA002JWR

20896-23-5 | Methyl 3,4-bis(bromomethyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$57.00   $40.00
- +
250mg
95%
in stock  
$108.00   $76.00
- +
500mg
95%
in stock  
$152.00   $107.00
- +
1g
95%
in stock  
$222.00   $156.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002JWR
Chemical Name:
Methyl 3,4-bis(bromomethyl)benzoate
CAS Number:
20896-23-5
Molecular Formula:
C10H10Br2O2
Molecular Weight:
321.9932
MDL Number:
MFCD00219865
SMILES:
COC(=O)c1ccc(c(c1)CBr)CBr
Properties
Computed Properties
 
Complexity:
197  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Downstream Synthesis Route

[1]OrganicLetters,2019,vol.21,p.5650-5654

[2]JournalofOrganicChemistry,2007,vol.72,p.9231-9239

[3]Patent:WO2022/3610,2022,A1.Locationinpatent:Page/Pagecolumn78

[4]BioorganicandMedicinalChemistryLetters,2005,vol.15,p.2647-2652

[5]Patent:EP2100879,2009,A1.Locationinpatent:Page/Pagecolumn17-18

[6]Patent:US2010/234340,2010,A1.Locationinpatent:Page/Pagecolumn20

[7]JournalofMedicinalChemistry,2010,vol.53,p.5956-5969

[8]JournalofMedicinalChemistry,2013,vol.56,p.7201-7211

[1]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-WO2006/97260,2006,A1Locationinpatent:Page/Pagecolumn55

[2]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2007/121918,2007,A2Locationinpatent:Page/Pagecolumn56

[1]Patent:US5026856,1991,A

Literature
Quotation Request
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SDS
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Tags:20896-23-5 Molecular Formula|20896-23-5 MDL|20896-23-5 SMILES|20896-23-5 Methyl 3,4-bis(bromomethyl)benzoate
Catalog No.: AA002JWR
20896-23-5,MFCD00219865
20896-23-5 | Methyl 3,4-bis(bromomethyl)benzoate
Pack Size： 100mg
Purity： 95%
in stock
$57.00 $40.00
Pack Size： 250mg
Purity： 95%
in stock
$108.00 $76.00
Pack Size： 500mg
Purity： 95%
in stock
$152.00 $107.00
Pack Size： 1g
Purity： 95%
in stock
$222.00 $156.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA002JWR
Chemical Name: Methyl 3,4-bis(bromomethyl)benzoate
CAS Number: 20896-23-5
Molecular Formula: C10H10Br2O2
Molecular Weight: 321.9932
MDL Number: MFCD00219865
SMILES: COC(=O)c1ccc(c(c1)CBr)CBr
Properties
Complexity: 197  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
Downstream Synthesis Route
38404-42-1    20896-23-5 

[1]OrganicLetters,2019,vol.21,p.5650-5654

[2]JournalofOrganicChemistry,2007,vol.72,p.9231-9239

[3]Patent:WO2022/3610,2022,A1.Locationinpatent:Page/Pagecolumn78

[4]BioorganicandMedicinalChemistryLetters,2005,vol.15,p.2647-2652

[5]Patent:EP2100879,2009,A1.Locationinpatent:Page/Pagecolumn17-18

[6]Patent:US2010/234340,2010,A1.Locationinpatent:Page/Pagecolumn20

[7]JournalofMedicinalChemistry,2010,vol.53,p.5956-5969

[8]JournalofMedicinalChemistry,2013,vol.56,p.7201-7211

20896-23-5    114715-39-8    910050-08-7 

[1]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-WO2006/97260,2006,A1Locationinpatent:Page/Pagecolumn55

[2]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2007/121918,2007,A2Locationinpatent:Page/Pagecolumn56

56-23-5    38404-42-1    127168-94-9    20896-23-5 

[1]Patent:US5026856,1991,A

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