Home Carboxes 1193-21-1
1193-21-1,MFCD12923091
Catalog No.:AA000IGJ

1193-21-1 | 4,6-Dichloropyrimidine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
10g
95%
in stock  
$7.00   $5.00
- +
25g
98%
in stock  
$7.00   $5.00
- +
100g
98%
in stock  
$23.00   $16.00
- +
500g
95%
in stock  
$78.00   $54.00
- +
  • Technical Information
  • Properties
  • Literature
  • Application
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000IGJ
Chemical Name:
4,6-Dichloropyrimidine
CAS Number:
1193-21-1
Molecular Formula:
C4H2Cl2N2
Molecular Weight:
148.9781
MDL Number:
MFCD12923091
SMILES:
Clc1ncnc(c1)Cl
NSC Number:
37530
Properties
Properties
 
BP:
176°C at 760 mmHg  
Form:
Solid  
MP:
65-67 °C  
Refractive Index:
1.6300 (estimate)  
Solubility:
95% ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to yellow  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
70.4  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
XLogP3:
2.1  

Literature

Title: Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing.

Journal: Journal of medicinal chemistry 20111222

Title: Molecular structure, harmonic and anharmonic frequency calculations of 2,4-dichloropyrimidine and 4,6-dichloropyrimidine by HF and density functional methods.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110501

Title: Expanding the diversity of allosteric bcr-abl inhibitors.

Journal: Journal of medicinal chemistry 20101014

Title: meso-Pyrimidinyl-substituted A2B- and A3-corroles.

Journal: The Journal of organic chemistry 20100319

Title: Synthesis and highly selective bromination of Azacalix[4]pyrimidine macrocycles.

Journal: The Journal of organic chemistry 20100205

Title: 1,4-Bis(6-chloro-pyrimidin-4-yl-oxy)benzene.

Journal: Acta crystallographica. Section E, Structure reports online 20090201

Title: Comparative computational and experimental study on the thermochemistry of the chloropyrimidines.

Journal: The journal of physical chemistry. B 20070201

Title: Allosteric inhibitors of Bcr-abl-dependent cell proliferation.

Journal: Nature chemical biology 20060201

Title: 5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.

Journal: Organic & biomolecular chemistry 20040321

Application
4,6-Dichloropyrimidine is utilized as a versatile building block in organic synthesis, serving as a key intermediate in the preparation of various functionalized pyrimidine derivatives. Its reactivity allows for the synthesis of N-substituted azacalix[4]pyrimidines, which are important compounds in supramolecular chemistry and molecular recognition studies. Additionally, 4,6-Dichloropyrimidine serves as a starting material for the synthesis of disubstituted pyrimidines via tandem amination and Suzuki-Miyaura cross-coupling reactions. These synthetic routes enable the introduction of diverse substituents onto the pyrimidine scaffold, expanding the structural diversity and utility of the resulting compounds. Furthermore, 4,6-Dichloropyrimidine is employed in biarylpyrimidine synthesis through biaryl cross-coupling reactions, facilitating the construction of biaryl-containing pyrimidine derivatives with potential applications in medicinal chemistry and materials science. Overall, the versatility of 4,6-Dichloropyrimidine makes it a valuable tool in organic synthesis, enabling the efficient preparation of diverse pyrimidine-based compounds with tailored properties for various applications.
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:1193-21-1 Molecular Formula|1193-21-1 MDL|1193-21-1 SMILES|1193-21-1 4,6-Dichloropyrimidine |Organic_Building_Blocks