5-Iodo-2,4-dimethoxypyrimidine Chemical Properties

Melting point:

71-75 °C (lit.)

Boiling point:

328.7±52.0 °C(Predicted)

Density 

1.822±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Store in freezer, under -20°C

solubility 

Chloroform; Dichloromethane

pka

1.33±0.29(Predicted)

form 

Solid

color 

Off-White

Sensitive 

Light Sensitive

λmax

277 nm

InChI

1S/C6H7IN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3

InChIKey

KNTMOGOYRYYUIE-UHFFFAOYSA-N

SMILES

COc1ncc(I)c(OC)n1

CAS DataBase Reference

52522-99-3(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,T

Risk Statements 

36/37/38

Safety Statements 

26-36-24/25

WGK Germany 

3

HazardClass 

IRRITANT, TOXIC

HS Code 

29335990

Storage Class

11 - Combustible Solids

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

5-Iodo-2,4-dimethoxypyrimidine Usage And Synthesis

Chemical Properties

White solid

Uses

3-Methylphthalic Acid is a by-product during the synthesis of 3-Methylhexahydrophthalic Anhydride (M312385), a useful reagent for the synthesis of?geometrical isomers of 1,2,3-trimethylcyclohexane. It can also be used to prepare?hydroxycarbamoyl carboxylic acids for the flotation of diaspore and aluminosilicate minerals.

Synthesis Reference(s)

Journal of the American Chemical Society, 82, p. 4753, 1960 DOI: 10.1021/ja01502a085

Synthesis Reference(s)

Synthetic Communications, 18, p. 855, 1988 DOI: 10.1080/00397918808057855

Synthesis

Under nitrogen protection, 2,4-dimethoxypyrimidine (1.4 g, 10 mmol) was dissolved in tetrahydrofuran (14 mL), cooled to about 0 ??C, 1 M magnesium dichloride (2,2,6,6-tetramethylpiperidinium) lithium salt (11 mL, 11 mmol) was added dropwise with stirring, and after completion of the dropwise addition, stirring was continued for 2 hours, and then iodine (2.79 g, 11 mmol), and after maintaining the reaction at low temperature for 2 hours, it was naturally warmed back to room temperature and stirring was continued for 6 hours. The reaction solution was quenched by pouring into aqueous ammonium chloride solution, extracted three times with ethyl acetate, combined, washed, dried and concentrated. After column chromatography of the crude product obtained, 2,4-dimethoxy-5-iodopyrimidine (2.34 g, 88% yield) was obtained.

5-Iodo-2,4-dimethoxypyrimidine(52522-99-3)Related Product Information

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