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2-Imidazolidinone,4-[(3-butoxy-4-methoxyphenyl)methyl]-

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Name

2-Imidazolidinone,4-[(3-butoxy-4-methoxyphenyl)methyl]-

EINECS N/A
CAS No. 29925-17-5 Density 1.099 g/cm3
PSA 59.59000 LogP 2.75560
Solubility ethanol: 7 mg/mL Melting Point N/A
Formula C15H22N2O3 Boiling Point 483.8 °C at 760 mmHg
Molecular Weight 278.351 Flash Point 246.4 °C
Transport Information N/A Appearance solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 29925-17-5 (RO 20-1724) Hazard Symbols IrritantXi
Synonyms

2-Imidazolidinone,4-(3-butoxy-4-methoxybenzyl)- (8CI);4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone;4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidone;DL-4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone;R 020-1724;Ro 20-1724;Ro20-174;Roche 20-1724;

Article Data 1

2-Imidazolidinone,4-[(3-butoxy-4-methoxyphenyl)methyl]- Specification

The 2-Imidazolidinone,4-[(3-butoxy-4-methoxyphenyl)methyl]-, with the CAS registry number 29925-17-5, is also known as 4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone. It belongs to the product category of Cyclic Nucleotide Related. This chemical's molecular formula is C15H22N2O3 and molecular weight is 278.34678. Its IUPAC name is called 4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one. This chemical is widely used inhibitor of cyclic nucleotide phosphodiesterase, selective for pde4 (ic 50 = 2.0 μ m). This chemical's classification codes are Enzyme Inhibitors and Phosphodiesterase inhibitors.

Physical properties of 2-Imidazolidinone,4-[(3-butoxy-4-methoxyphenyl)methyl]-: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 29.15; (5)ACD/BCF (pH 7.4): 29.15; (6)ACD/KOC (pH 5.5): 389.08; (7)ACD/KOC (pH 7.4): 389.08; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.521; (12)Molar Refractivity: 77.08 cm3; (13)Molar Volume: 253.1 cm3; (14)Surface Tension: 38.7 dyne/cm; (15)Density: 1.099 g/cm3; (16)Flash Point: 246.4 °C; (17)Enthalpy of Vaporization: 74.9 kJ/mol; (18)Boiling Point: 483.8 °C at 760 mmHg; (19)Vapour Pressure: 1.62E-09 mmHg at 25°C.

Uses of 2-Imidazolidinone,4-[(3-butoxy-4-methoxyphenyl)methyl]-: it can be used to produce 4-(3-butoxy-4-hydroxy-benzyl)-imidazolidin-2-one at temperature of 20 °C. It will need reagent Me3SiI and solvent CHCl3 with reaction time of 64 hours. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OC
(2)InChI: InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
(3)InChIKey: PDMUULPVBYQBBK-UHFFFAOYSA-N

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