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52522-99-3

52522-99-3 Structure

52522-99-3 Structure
IdentificationMore
[Name]

5-Iodo-2,4-dimethoxypyrimidine
[CAS]

52522-99-3
[Synonyms]

5-IODO-2,4-DIMETHOXYPYRIMIDINE
2,4-Dimethoxy-5-iodopyrimidine
3-METHYLPHTHALIC ACID
5-Iodo-2,4-dimethoxypyrimidine ,98%
2,3-Toluenedicarboxylic acid
3-Methylbenzene-1,2-dicarboxylic acid
[Molecular Formula]

C6H7IN2O2
[MDL Number]

MFCD00090865
[Molecular Weight]

266.04
[MOL File]

52522-99-3.mol
Chemical PropertiesBack Directory
[Melting point ]

71-75 °C (lit.)
[Boiling point ]

328.7±52.0 °C(Predicted)
[density ]

1.822±0.06 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

Chloroform; Dichloromethane
[form ]

Solid
[pka]

1.33±0.29(Predicted)
[color ]

Off-White
[Sensitive ]

Light Sensitive
[λmax]

277 nm
[Detection Methods]

HPLC
[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 DataBack Directory
[Hazard Codes ]

Xi,T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HazardClass ]

IRRITANT, TOXIC
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Sodium-->Sodium Methoxide-->Trifluoroacetic acid-->Trifluoroacetic anhydride-->2,4-Dichloropyrimidine-->N-Iodosuccinimide
Hazard InformationBack Directory
[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,
Spectrum DetailBack Directory
[Spectrum Detail]

5-Iodo-2,4-dimethoxypyrimidine(52522-99-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

5-Iodo-2,4-dimethoxypyrimidine, 98%(52522-99-3)
[Sigma Aldrich]

52522-99-3(sigmaaldrich)
[TCI AMERICA]

5-Iodo-2,4-dimethoxypyrimidine,>98.0%(GC)(52522-99-3)
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