CAS No.41964-07-2,Tolimidone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41964-07-2
Name:	Tolimidone
Article Data:	3

Formula:	C₁₁H₁₀N₂O₂
Molecular Weight:	202.213
Synonyms:	CP 26154;NSC 314335;Tolimidone;
EINECS:	200-258-5
Density:	1.22 g/cm³
Melting Point:	163-164℃
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	54.98000
LogP:	1.87060

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Specification

This chemical is called 2(1H)-Pyrimidinone,5-(3-methylphenoxy)-, and its systematic name is 5-(3-methylphenoxy)pyrimidin-2(1H)-one. With the molecular formula of C₁₁H₁₀N₂O₂, its molecular weight is 202.209. The CAS registry number of this chemical is 41964-07-2. Additionally, its classification code is Anti-ulcerative.

Other characteristics of the 2(1H)-Pyrimidinone,5-(3-methylphenoxy)- can be summarised as followings: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 6.46; (6)ACD/BCF (pH 7.4): 6.44; (7)ACD/KOC (pH 5.5): 132.32; (8)ACD/KOC (pH 7.4): 131.95; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.9 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 56.3 cm³; (15)Molar Volume: 164.9 cm³; (16)Polarizability: 22.32×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.22 g/cm³.

Production method of this chemical: The 2(1H)-Pyrimidinone,5-(3-methylphenoxy)- could be obtained by the reactants of 2-(3-methylphenoxy)-3-(dimethylamino)acrolein and urea. This reaction needs the reagent of NaOEt, and the solvent of ethanol. The yield is 46 %. In addition, this reaction should be taken for 4 hours. The other condition is heating.

The 2(1H)-Pyrimidinone,5-(3-methylphenoxy)- could be obtained by the reactants of 2-(3-methylphenoxy)-3-(dimethylamino)acrolein and urea

You can still convert the following datas into molecular structure:
1.SMILES: O=C2/N=C\C(\Oc1cc(ccc1)C)=C/N2
2.InChI: InChI=1/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)
3.InChIKey: HJQILFPVRNHTIG-UHFFFAOYAV