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Home > Encyclopedia > 4-Chloro-5-iodopyrimidine

4-Chloro-5-iodopyrimidine

4-Chloro-5-iodopyrimidine structure

4-Chloro-5-iodopyrimidine 

structure
  • CAS No:

    63558-65-6

  • Formula:

    C4H2ClIN2

  • Chemical Name:

    4-Chloro-5-iodopyrimidine

  • Synonyms:

    4-Chloro-5-iodopyrimidine;4-HYDROXYBENZENSULFONIC ACID SODIUM;4-Chloro-5-iodo-pyriMidine97%;4-Chloro-5-iodopyriMidine, 95+%

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

4-Chloro-5-iodopyrimidine Basic Attributes

240.43

239.895111

DTXSID70459485

2933599090

Characteristics

25.8

1.8

2.2±0.1 g/cm3

63-65 °C

275°C at 760 mmHg

120.1±21.8 °C

1.653

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-Chloro-5-iodopyrimidine Use and Manufacturing

To a stirred solution containing 7.7 mL (99 MMOL) of DMF and 150 mL of DICHLOROETHANE at 0°C was added 12.7 mL (144.6 MMOL) of OXALYL chloride slowly to control vigorous gas evolution. After the evolution of gas had ceased, 10.0 g of iodopyrimidone was added and the reaction mixture was heated at reflux for 3h, then cooled to room temperature and partitioned between water and DICHLOROMETHANE. The organic layers were dried over MGS04 and the solvent was removed under reduced pressure to give 9.6 g (88percent) of the title COMPOUND. 1H-NMR (300 MHz, CDCI3) A 8. 89 (s, 1H) and 8.98 (s, 1H) ; ESIMS : 241.1 (M+H)+Oxalyl chloride (1 .27 ml, 14.61 mmol) was added dropwise in 707 ml dimethylformamide and 20 ml dichloroethane. 5-lodopyrimidin-4(3/-/)-one ( 1 g, 4.55 mmol) was added and the reaction was heated at reflux for 2 h. The reaction mixture was dissolved in dichloromethane, washed with water, dried over sodium sulphate, filtered and concentrated under reduced pressure to give 0.91 g (83 percent yield) of the title compound as a solid. Purity 100percent.LRMS (m/z): 241 (M+1 )

Computed Properties

Molecular Weight:240.43
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Exact Mass:239.89512
Monoisotopic Mass:239.89512
Topological Polar Surface Area:25.8
Heavy Atom Count:8
Complexity:80.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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