CAS No.52606-02-7,5-FORMYL-2,4-DIMETHOXYPYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52606-02-7
Name:	5-FORMYL-2,4-DIMETHOXYPYRIMIDINE
Article Data:	9

Formula:	C₇H₈N₂O₃
Molecular Weight:	168.152
Synonyms:	2,4-Dimethoxy-5-formylpyrimidine;2,4-Dimethoxy-5-pyrimidinealdehyde;5-Formyl-2,4-dimethoxypyrimidine;
EINECS:	225-699-1
Density:	1.24 g/cm³
Melting Point:	114-115 °C
Boiling Point:	330.7 °C at 760 mmHg
Flash Point:	153.8 °C
Appearance:	white crystalline solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	61.31000
LogP:	0.30630

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Specification

This chemical has the IUPAC name 2,4-Dimethoxypyrimidine-5-carbaldehyde, and it's also named as 5-Pyrimidinecarboxaldehyde, 2,4-dimethoxy-. With the CAS registry number 52606-02-7, its molecular formula is C₇H₈N₂O₃. It's a useful synthetic intermediate. Additionally, its product categories are Pyrimidine; Aldehyde; Building Blocks; Nucleotides and Nucleosides; Bases & Related Reagents. However, it should be stored at -20 °C.

Other characteristics of the 2,4-Dimethoxypyrimidine-5-carbaldehyde can be summarised as followings: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1.84; (6)ACD/BCF (pH 7.4): 1.84; (7)ACD/KOC (pH 5.5): 53.89; (8)ACD/KOC (pH 7.4): 53.89; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.31 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 42.54 cm³; (15)Molar Volume: 135.5 cm³; (16)Polarizability: 16.86×10^-24cm³; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 153.8 °C; (20)Enthalpy of Vaporization: 57.33 kJ/mol; (21)Boiling Point: 330.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000163 mmHg at 25°C.

Production method of the 2,4-Dimethoxypyrimidine-5-carbaldehyde: It could be obtained by the reactant of 5-(1-hydroxy-2,2-diiodoethyl)-2,4-dimethoxypyrimidine. This reaction needs the reagents of NaOH, water, and the solvent of dioxane. The yield is 80 %. In addition, this reaction should be taken for 90 minutes at the temperature of 25 °C.

the 2,4-Dimethoxypyrimidine-5-carbaldehyde could be obtained by the reactant of 5-(1-hydroxy-2,2-diiodoethyl)-2,4-dimethoxypyrimidine

Uses of the 2,4-Dimethoxypyrimidine-5-carbaldehyde: It could react with 3-bromo-propene to obtain the 1-(2,4-dimethoxy-pyrimidin-5-yl)-but-3-en-1-ol. This reaction needs the reagent of indium, and the solvents of H₂O and tetrahydrofuran. The yield is 80 %.

the 2,4-Dimethoxypyrimidine-5-carbaldehyde could react with 3-bromo-propene to obtain the 1-(2,4-dimethoxy-pyrimidin-5-yl)-but-3-en-1-ol

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1cnc(OC)nc1OC
2.InChI: InChI=1/C7H8N2O3/c1-11-6-5(4-10)3-8-7(9-6)12-2/h3-4H,1-2H3
3.InChIKey: AJTAWJHBACJZAL-UHFFFAOYAH