CAS No.29925-17-5,RO 20-1724 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	29925-17-5
Name:	RO 20-1724
Article Data:	1

Formula:	C₁₅H₂₂N₂O₃
Molecular Weight:	278.351
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;
Density:	1.099 g/cm³
Boiling Point:	483.8 °C at 760 mmHg
Flash Point:	246.4 °C
Solubility:	ethanol: 7 mg/mL
Appearance:	solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	59.59000
LogP:	2.75560

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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