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16650-63-8,MFCD06658478
Catalog No.:AA001WPR

16650-63-8 | 3-Bromo-naphthalene-1-carboxylic acid methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$45.00   $32.00
- +
250mg
95%
in stock  
$65.00   $45.00
- +
1g
98%
in stock  
$148.00   $103.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001WPR
Chemical Name:
3-Bromo-naphthalene-1-carboxylic acid methyl ester
CAS Number:
16650-63-8
Molecular Formula:
C12H9BrO2
Molecular Weight:
265.1027
MDL Number:
MFCD06658478
SMILES:
COC(=O)c1cc(Br)cc2c1cccc2
Properties
Computed Properties
 
Complexity:
242  
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:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.7  

Downstream Synthesis Route

[1]Moseley,JonathanD.;Gilday,JohnP.[Tetrahedron,2006,vol.62,#19,p.4690-4697]

[2]Moseley,JonathanD.;Moss,WilliamO.;Welham,MatthewJ.;Ancell,ClaireL.;Banister,John;Bowden,SharonA.;Norton,Glenn;Young,MaureenJ.[OrganicProcessResearchandDevelopment,2003,vol.7,#1,p.58-66]

16650-63-8    129799-15-1   
C23H28N2O6 

[1]Patent:WO2007/120688,2007,A2.Locationinpatent:Page/Pagecolumn97-98

[1]Bernstein,PeterR.;Aharony,David;Albert,JeffreyS.;Andisik,Donald;Barthlow,HerbertG.;Bialecki,Russell;Davenport,Timothy;Dedinas,RobertF.;Dembofsky,BruceT.;Koether,Gerard;Kosmider,BenedictJ.;Kirkland,Karin;Ohnmacht,CyrusJ.;Potts,William;Rumsey,WilliamL.;Shen,Lihong;Shenvi,Ashok;Sherwood,Scott;Stollman,David;Russell,Keith[BioorganicandMedicinalChemistryLetters,2001,vol.11,#20,p.2769-2773]

[2]Dixon,ElisabethA.;Fischer,Alfred;Robinson,FrankP.[CanadianJournalofChemistry,1981,vol.59,p.2629-2641]

[3]CurrentPatentAssignee:MERCK&COINC-WO2011/20193,2011,A1

[4]Moseley,JonathanD.;Moss,WilliamO.;Welham,MatthewJ.;Ancell,ClaireL.;Banister,John;Bowden,SharonA.;Norton,Glenn;Young,MaureenJ.[OrganicProcessResearchandDevelopment,2003,vol.7,#1,p.58-66]

[5]Kuethe,JeffreyT.;Childers,KarlaG.;Humphrey,GuyR.;Journet,Michel;Peng,Zhihui[OrganicProcessResearchandDevelopment,2008,vol.12,#6,p.1201-1208]

[6]CurrentPatentAssignee:HARVARDUNIVERSITY-WO2012/6068,2012,A2

[1]TetrahedronLetters,2008,vol.49,p.3204-3207

[1]Patent:WO2007/120688,2007,A2

Literature
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SDS
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Tags:16650-63-8 Molecular Formula|16650-63-8 MDL|16650-63-8 SMILES|16650-63-8 3-Bromo-naphthalene-1-carboxylic acid methyl ester
Catalog No.: AA001WPR
16650-63-8,MFCD06658478
16650-63-8 | 3-Bromo-naphthalene-1-carboxylic acid methyl ester
Pack Size： 100mg
Purity： 95%
in stock
$45.00 $32.00
Pack Size： 250mg
Purity： 95%
in stock
$65.00 $45.00
Pack Size： 1g
Purity： 98%
in stock
$148.00 $103.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001WPR
Chemical Name: 3-Bromo-naphthalene-1-carboxylic acid methyl ester
CAS Number: 16650-63-8
Molecular Formula: C12H9BrO2
Molecular Weight: 265.1027
MDL Number: MFCD06658478
SMILES: COC(=O)c1cc(Br)cc2c1cccc2
Properties
Complexity: 242  
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: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.7  
Downstream Synthesis Route
67-56-1    24050-49-5    93353-66-3    16650-63-8 

[1]Moseley,JonathanD.;Gilday,JohnP.[Tetrahedron,2006,vol.62,#19,p.4690-4697]

[2]Moseley,JonathanD.;Moss,WilliamO.;Welham,MatthewJ.;Ancell,ClaireL.;Banister,John;Bowden,SharonA.;Norton,Glenn;Young,MaureenJ.[OrganicProcessResearchandDevelopment,2003,vol.7,#1,p.58-66]

16650-63-8    129799-15-1   
C23H28N2O6 

[1]Patent:WO2007/120688,2007,A2.Locationinpatent:Page/Pagecolumn97-98

24050-49-5    16650-63-8 

[1]Bernstein,PeterR.;Aharony,David;Albert,JeffreyS.;Andisik,Donald;Barthlow,HerbertG.;Bialecki,Russell;Davenport,Timothy;Dedinas,RobertF.;Dembofsky,BruceT.;Koether,Gerard;Kosmider,BenedictJ.;Kirkland,Karin;Ohnmacht,CyrusJ.;Potts,William;Rumsey,WilliamL.;Shen,Lihong;Shenvi,Ashok;Sherwood,Scott;Stollman,David;Russell,Keith[BioorganicandMedicinalChemistryLetters,2001,vol.11,#20,p.2769-2773]

[2]Dixon,ElisabethA.;Fischer,Alfred;Robinson,FrankP.[CanadianJournalofChemistry,1981,vol.59,p.2629-2641]

[3]CurrentPatentAssignee:MERCK&COINC-WO2011/20193,2011,A1

[4]Moseley,JonathanD.;Moss,WilliamO.;Welham,MatthewJ.;Ancell,ClaireL.;Banister,John;Bowden,SharonA.;Norton,Glenn;Young,MaureenJ.[OrganicProcessResearchandDevelopment,2003,vol.7,#1,p.58-66]

[5]Kuethe,JeffreyT.;Childers,KarlaG.;Humphrey,GuyR.;Journet,Michel;Peng,Zhihui[OrganicProcessResearchandDevelopment,2008,vol.12,#6,p.1201-1208]

[6]CurrentPatentAssignee:HARVARDUNIVERSITY-WO2012/6068,2012,A2

850623-36-8    16650-63-8    1033204-03-3 

[1]TetrahedronLetters,2008,vol.49,p.3204-3207

13772-63-9    16650-63-8 

[1]Patent:WO2007/120688,2007,A2

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