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Catalog No. BCN5783
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20mg $298 In stock
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Chemical Properties of (2,4-Dihydroxyphenyl)acetonitrile

Cas No. 57576-34-8 SDF Download SDF
SMILES c1cc(c(cc1O)O)CC#N
Standard InChI InChI=1S/C8H7NO2/c9-4-3-6-1-2-7(10)5-8(6)11/h1-2,5,10-11H,3H2
Type of Compound Phenols Appearance Powder
Formula C8H7NO2 M.Wt 149.2
Solubility Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other courier with RT , or blue ice upon request.

Preparing Stock Solutions of (2,4-Dihydroxyphenyl)acetonitrile

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 6.7024 mL 33.5121 mL 67.0241 mL 134.0483 mL 167.5603 mL
5 mM 1.3405 mL 6.7024 mL 13.4048 mL 26.8097 mL 33.5121 mL
10 mM 0.6702 mL 3.3512 mL 6.7024 mL 13.4048 mL 16.756 mL
50 mM 0.134 mL 0.6702 mL 1.3405 mL 2.681 mL 3.3512 mL
100 mM 0.067 mL 0.3351 mL 0.6702 mL 1.3405 mL 1.6756 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

Preparation of (2,4-Dihydroxyphenyl)acetonitrile

This product is isolated and purified from the herbs of Diploclisia glaucescens

References on (2,4-Dihydroxyphenyl)acetonitrile

Spectrophotometric, Fourier transform infrared spectroscopic and theoretical studies of the charge-transfer complexes between methyldopa [(S)-2 amino-3-(3,4-dihydroxyphenyl)-2-methyl propanoic acid] and the acceptors (chloranilic acid, o-chloranil and dichlorodicyanobenzoquinone) in acetonitrile and their thermodynamic properties.[Pubmed: 22446770]

Methyldopa is a much used antihypertensive drug. It is the subject matter of study mostly for the determination and estimation of methyldopa in pharmaceutical properties. These considerations led us to study the charge-transfer interactions between methyldopa, a centrally acting antihypertensive agent of limited use with the known acceptors like o-chloranil (o-ClN), chloranilic acid (ClA) and dichlorodicyanobenzoquinone (DDQ). Methyldopa (MDP) formed beautifully colored complexes (having absorption maxima at 581 nm and 368 nm; 519 nm; 583.5 nm, 547 nm and 346 nm, respectively) with the acceptors mentioned before. The physico-chemical properties of the complexes were studied using UV-visible spectrophotometry and FTIR measurements. The composition, the accurate association constants and thermodynamics of the complexes were determined spectrophotometrically. Attempts were made to interpret the thermodynamics of complexes in terms of I(D)(V), E(A)(V) and hν(CT). Solid CT complexes between MDP+o-ClN, MDP+ClA and MDP+DDQ were prepared and FTIR spectra of the complexes were studied. The energies hν(CT) of the charge-transfer complexes and vertical ionization potential I(D)(V) of methyldopa were compared with the theoretical values of hν(CT) obtained from HOMO and LUMO of the donors and acceptors calculated using Density Function Theory utilizing different basis sets. The agreement between the results can be regarded to be reasonable. Oscillator strengths and dipole strengths of the complexes were determined theoretically and experimentally and the limitations of the calculations were outlined.


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