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187035-79-6,MFCD01312372
Catalog No.:AA00AP8P

187035-79-6 | Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$11.00   $8.00
- +
5g
97%
in stock  
$41.00   $29.00
- +
10g
97%
in stock  
$76.00   $54.00
- +
25g
97%
in stock  
$122.00   $86.00
- +
100g
97%
in stock  
$485.00   $340.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00AP8P
Chemical Name:
Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
CAS Number:
187035-79-6
Molecular Formula:
C8H6ClF3N2O2
Molecular Weight:
254.5936
MDL Number:
MFCD01312372
SMILES:
CCOC(=O)c1cnc(nc1C(F)(F)F)Cl
Properties
Properties
 
BP:
336.2°C at 760 mmHg  
Form:
Solid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
262  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Upstream Synthesis Route

[1]Journalofmedicinalchemistry,2000,vol.43,#21,p.3995-4004

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,#18,p.2573-2577

[2]Journalofmedicinalchemistry,2000,vol.43,#21,p.3995-4004

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,#18,p.2573-2577

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,#18,p.2573-2577

Downstream Synthesis Route
110-89-4    187035-79-6   
2-Piperidin-1-yl-4-trifluoromethyl-pyrimidine-5-carboxylicacidethylester 

[1]TetrahedronLetters,1997,vol.38,p.211-214

617-89-0    109-73-9    187035-79-6   
2-(Furan-2-ylmethyl)-amino-4-trifluoromethyl-pyrimidine-5-carboxylicacidbutylamide 

[1]TetrahedronLetters,1997,vol.38,p.211-214

617-89-0    187035-79-6   
2-(Furan-2-ylmethyl)-amino-4-trifluoromethyl-pyrimidine-5-carboxylicacidethylester 

[1]TetrahedronLetters,1997,vol.38,p.211-214

109-73-9    187035-79-6   
2-Butylamino-4-trifluoromethyl-pyrimidine-5-carboxylicacidethylester 

[1]TetrahedronLetters,1997,vol.38,p.211-214

109-73-9    187035-79-6    108-95-2   
N-butyl-5-(phenoxymethyl)-4-(trifluoromethyl)pyrimidin-2-amine 

[1]TetrahedronLetters,1997,vol.38,p.211-214

Literature
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SDS
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Tags:187035-79-6 Molecular Formula|187035-79-6 MDL|187035-79-6 SMILES|187035-79-6 Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
Catalog No.: AA00AP8P
187035-79-6,MFCD01312372
187035-79-6 | Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
Pack Size： 1g
Purity： 97%
in stock
$11.00 $8.00
Pack Size： 5g
Purity： 97%
in stock
$41.00 $29.00
Pack Size： 10g
Purity： 97%
in stock
$76.00 $54.00
Pack Size： 25g
Purity： 97%
in stock
$122.00 $86.00
Pack Size： 100g
Purity： 97%
in stock
$485.00 $340.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00AP8P
Chemical Name: Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
CAS Number: 187035-79-6
Molecular Formula: C8H6ClF3N2O2
Molecular Weight: 254.5936
MDL Number: MFCD01312372
SMILES: CCOC(=O)c1cnc(nc1C(F)(F)F)Cl
Properties
BP: 336.2°C at 760 mmHg  
Form: Solid  
Storage: Inert atmosphere;2-8℃;  
Complexity: 262  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Upstream Synthesis Route
571-55-1    187035-79-6 

[1]Journalofmedicinalchemistry,2000,vol.43,#21,p.3995-4004

154934-97-1    187035-79-6 

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,#18,p.2573-2577

[2]Journalofmedicinalchemistry,2000,vol.43,#21,p.3995-4004

372-31-6    187035-79-6 

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,#18,p.2573-2577

2924-80-3    187035-79-6 

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,#18,p.2573-2577

Downstream Synthesis Route
110-89-4    187035-79-6   
2-Piperidin-1-yl-4-trifluoromethyl-pyrimidine-5-carboxylicacidethylester 

[1]TetrahedronLetters,1997,vol.38,p.211-214

617-89-0    109-73-9    187035-79-6   
2-(Furan-2-ylmethyl)-amino-4-trifluoromethyl-pyrimidine-5-carboxylicacidbutylamide 

[1]TetrahedronLetters,1997,vol.38,p.211-214

617-89-0    187035-79-6   
2-(Furan-2-ylmethyl)-amino-4-trifluoromethyl-pyrimidine-5-carboxylicacidethylester 

[1]TetrahedronLetters,1997,vol.38,p.211-214

109-73-9    187035-79-6   
2-Butylamino-4-trifluoromethyl-pyrimidine-5-carboxylicacidethylester 

[1]TetrahedronLetters,1997,vol.38,p.211-214

109-73-9    187035-79-6    108-95-2   
N-butyl-5-(phenoxymethyl)-4-(trifluoromethyl)pyrimidin-2-amine 

[1]TetrahedronLetters,1997,vol.38,p.211-214

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