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179898-87-4,MFCD09264186
Catalog No.:AA00279N

179898-87-4 | tert-Butyl 2,2-dimethyl-4-oxo-3,4-dihydroquinoline-1(2h)-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
2 weeks  
$669.00   $468.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00279N
Chemical Name:
tert-Butyl 2,2-dimethyl-4-oxo-3,4-dihydroquinoline-1(2h)-carboxylate
CAS Number:
179898-87-4
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
MDL Number:
MFCD09264186
SMILES:
O=C(N1c2ccccc2C(=O)CC1(C)C)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
408  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Downstream Synthesis Route
925-90-6    179898-87-4   
4-Ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-quinoline-1-carboxylicacidtert-butylester 

[1]Hamann,LawrenceG.;Higuchi,RobertI.;Zhi,Lin;Edwards,JamesP.;Wang,Xiao-Ning;Marschke,KeithB.;Kong,JamesW.;Farmer,LucJ.;Jones,ToddK.[JournalofMedicinalChemistry,1998,vol.41,#4,p.623-639]

920-39-8    179898-87-4   
4-Hydroxy-4-isopropyl-2,2-dimethyl-3,4-dihydro-2H-quinoline-1-carboxylicacidtert-butylester 

[1]Hamann,LawrenceG.;Higuchi,RobertI.;Zhi,Lin;Edwards,JamesP.;Wang,Xiao-Ning;Marschke,KeithB.;Kong,JamesW.;Farmer,LucJ.;Jones,ToddK.[JournalofMedicinalChemistry,1998,vol.41,#4,p.623-639]

[1]Hamann,LawrenceG.;Higuchi,RobertI.;Zhi,Lin;Edwards,JamesP.;Wang,Xiao-Ning;Marschke,KeithB.;Kong,JamesW.;Farmer,LucJ.;Jones,ToddK.[JournalofMedicinalChemistry,1998,vol.41,#4,p.623-639]

75-03-6    179898-87-4   
3-Ethyl-2,2-dimethyl-4-oxo-3,4-dihydro-2H-quinoline-1-carboxylicacidtert-butylester 

[1]Hamann,LawrenceG.;Higuchi,RobertI.;Zhi,Lin;Edwards,JamesP.;Wang,Xiao-Ning;Marschke,KeithB.;Kong,JamesW.;Farmer,LucJ.;Jones,ToddK.[JournalofMedicinalChemistry,1998,vol.41,#4,p.623-639]

179898-87-4   
4-Hydroxy-4-isopropyl-2,2-dimethyl-3,4-dihydro-2H-quinoline-1-carboxylicacidtert-butylester 
 
4-Isopropyl-2,2-dimethyl-3,4-dihydro-2H-quinoline-1-carboxylicacidtert-butylester 

[1]Hamann,LawrenceG.;Higuchi,RobertI.;Zhi,Lin;Edwards,JamesP.;Wang,Xiao-Ning;Marschke,KeithB.;Kong,JamesW.;Farmer,LucJ.;Jones,ToddK.[JournalofMedicinalChemistry,1998,vol.41,#4,p.623-639]

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SDS
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Tags:179898-87-4 Molecular Formula|179898-87-4 MDL|179898-87-4 SMILES|179898-87-4 tert-Butyl 2,2-dimethyl-4-oxo-3,4-dihydroquinoline-1(2h)-carboxylate
Catalog No.: AA00279N
179898-87-4,MFCD09264186
179898-87-4 | tert-Butyl 2,2-dimethyl-4-oxo-3,4-dihydroquinoline-1(2h)-carboxylate
Pack Size： 1g
Purity： 98%
2 weeks
$669.00 $468.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00279N
Chemical Name: tert-Butyl 2,2-dimethyl-4-oxo-3,4-dihydroquinoline-1(2h)-carboxylate
CAS Number: 179898-87-4
Molecular Formula: C16H21NO3
Molecular Weight: 275.3428
MDL Number: MFCD09264186
SMILES: O=C(N1c2ccccc2C(=O)CC1(C)C)OC(C)(C)C
Properties
Complexity: 408  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Downstream Synthesis Route
925-90-6    179898-87-4   
4-Ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-quinoline-1-carboxylicacidtert-butylester 

[1]Hamann,LawrenceG.;Higuchi,RobertI.;Zhi,Lin;Edwards,JamesP.;Wang,Xiao-Ning;Marschke,KeithB.;Kong,JamesW.;Farmer,LucJ.;Jones,ToddK.[JournalofMedicinalChemistry,1998,vol.41,#4,p.623-639]

920-39-8    179898-87-4   
4-Hydroxy-4-isopropyl-2,2-dimethyl-3,4-dihydro-2H-quinoline-1-carboxylicacidtert-butylester 

[1]Hamann,LawrenceG.;Higuchi,RobertI.;Zhi,Lin;Edwards,JamesP.;Wang,Xiao-Ning;Marschke,KeithB.;Kong,JamesW.;Farmer,LucJ.;Jones,ToddK.[JournalofMedicinalChemistry,1998,vol.41,#4,p.623-639]

75-03-6    179898-87-4    179899-03-7 

[1]Hamann,LawrenceG.;Higuchi,RobertI.;Zhi,Lin;Edwards,JamesP.;Wang,Xiao-Ning;Marschke,KeithB.;Kong,JamesW.;Farmer,LucJ.;Jones,ToddK.[JournalofMedicinalChemistry,1998,vol.41,#4,p.623-639]

75-03-6    179898-87-4   
3-Ethyl-2,2-dimethyl-4-oxo-3,4-dihydro-2H-quinoline-1-carboxylicacidtert-butylester 

[1]Hamann,LawrenceG.;Higuchi,RobertI.;Zhi,Lin;Edwards,JamesP.;Wang,Xiao-Ning;Marschke,KeithB.;Kong,JamesW.;Farmer,LucJ.;Jones,ToddK.[JournalofMedicinalChemistry,1998,vol.41,#4,p.623-639]

179898-87-4   
4-Hydroxy-4-isopropyl-2,2-dimethyl-3,4-dihydro-2H-quinoline-1-carboxylicacidtert-butylester 
 
4-Isopropyl-2,2-dimethyl-3,4-dihydro-2H-quinoline-1-carboxylicacidtert-butylester 

[1]Hamann,LawrenceG.;Higuchi,RobertI.;Zhi,Lin;Edwards,JamesP.;Wang,Xiao-Ning;Marschke,KeithB.;Kong,JamesW.;Farmer,LucJ.;Jones,ToddK.[JournalofMedicinalChemistry,1998,vol.41,#4,p.623-639]

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Historical Records
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