Buy Medetomidine Hcl Cas-106807-72-1
Buy Medetomidine Hcl Cas-106807-72-1
Medetomidine hydrochloride, ≥99%
Catalog No. 164163
| CAS No. | 106807-72-1 |
|---|---|
| M.F. | C13H16N2 . HCl |
| M.W. | 236.74 |
| Appearance | White or off-white crystalline powder |
|---|---|
| Melting Point (°C) | 151-156℃ |
| Purity | ≥99% HPLC |
| Solubility | Soluble to 100 mM in water |
| Storage | Cool & Dry |
| Description | Medetomidine hydrochloride is a potent and highly selective α2-AR adrenoceptor agonist (Ki values are 1.08 and 1750 nM for α2- and α1-adrenoceptors respectively). Shows greater selectivity over α1-adrenoceptors than clonidine and UK 14,304 (1620-, 220- and 300-fold respectively). |
| Biological Activity | Potent, highly selective α2-adrenoceptor agonist (Ki values are 1.08 and 1750 nM for α2- and α1-adrenoceptors respectively). Displays greater selectivity over α1-adrenoceptors than clonidine and UK 14,304 (1620-, 220- and 300-fold respectively). Inhibits twitch response in electrically stimulated mouse vas deferens (pD2 = 9.0). Active in vivo; displays hypotensive, bradycardic, sedative, anxiolytic, hypothermic and analgesic effect |
Medetomidine HCl exists in the form of white or almost white crystalline powder. It usually appears as a colorless or nearly colorless crystalline solid. Has good solubility in water. At room temperature, approximately 10 grams of water can be dissolved per gram. In addition, it can also be dissolved in organic solvents such as ethanol and methanol. Nuclear magnetic resonance (NMR) spectra, infrared spectroscopy (IR), and ultraviolet visible absorption spectroscopy (UV Vis) can be used for identification and quantitative analysis. Peracid base reaction, Redox and Substitution reaction can participate in a variety of chemical reactions to produce different derivatives or carry out structural modification. Its molecular structure contains benzene ring and imidazole ring, and contains an amino group and a substituted isopropyl group. Relatively stable under dry, dark, and sealed conditions. However, it is sensitive to light and is prone to degradation under sunlight or ultraviolet radiation. Therefore, attention should be paid to avoiding light during the preparation and storage process. It is a commonly used drug in clinical practice, belonging to α Adrenergic receptor agonists. It has the functions of sedation, analgesia and muscle relaxation, and is widely used in Veterinary medicine and human medicine. Buy Medetomidine Hcl Cas-106807-72-1
We can provide 1- (2,3-dimethylphenyl) ethyl chloride, CAS 60907-88-2, hplc>95% (the analysis result more than 97%) ; (1-bromocyclopentyl)-2-thienyl ketone and n-(trimethyl) imidazole, CAS 18156-74-6 (purity>98%). Medetomidine HCl is a α2-adrenohormone protein kinase inhibitor. Its organic chemical name is (R)-4-(S)-[1-(2,3-dimethylphenyl) ethyl]-1H-imidazolium hydrochloride.
| Chemical Formula | C13H16N2 |
| Exact Mass | 200.13 |
| Molecular Weight | 200.29 |
| m/z | 200.13 (100.0%), 201.13 (14.1%) |
| Elemental Analysis | C, 77.96; H, 8.05; N, 13.99 |
Medetomidine HCl (hereinafter referred to as the “target compound”), as a hypothetical drug molecule, may have specific pharmacological activities such as analgesia, sedation, or anti anxiety. To obtain this compound, we need to start from readily available raw materials, gradually construct its molecular skeleton through a series of chemical reactions, and introduce necessary functional groups. In this synthesis route, we will use 1- (2,3-dimethylphenyl) ethanone (referred to as the “ketone raw material”) as the key starting material, and synthesize the target compound through steps such as epoxidation, isomerization, and van Leesen reaction. Buy Medetomidine Hcl Cas-106807-72-1
Synthesis of raw material 1- (2,3-dimethylphenyl) ethanone
Synthesis route using 2,3-dimethylbenzoic acid as raw material
Reaction principle: Benzoic acid reacts with thionyl chloride (SOCl2) or oxalyl chloride under acidic conditions to generate the corresponding acyl chloride.
Chemical equation: C6H3 (CH3) 2COOH+SOCl2 → C6H3 (CH3) 2COCl+HCl+SO2
Reaction conditions: Anhydrous solvents (such as dichloromethane, chloroform, etc.) are usually used, and a small amount of catalyst (such as DMF) is added to promote the reaction. The reaction temperature is generally between 0 ° C and room temperature.
Caution: Acyl chlorides are easily hydrolyzed, and the reaction system should be kept dry and carried out under inert gas protection.
Reaction principle: Acyl chloride undergoes a substitution reaction with nucleophilic reagents such as sodium alcoholate to form esters or ketones.
Chemical equation: C6H3 (CH3) 2COCl+CH3CH2ONa → C6H3 (CH3) 2COCH2CH3+NaCl
Reaction conditions: Under alkaline conditions, commonly used solvents are ethanol or ether. The reaction temperature depends on specific conditions, but generally does not exceed the boiling point of the solvent. Buy Medetomidine Hcl Cas-106807-72-1
Reaction principle: Esters are hydrolyzed under acidic or alkaline conditions to produce the corresponding alcohols or carboxylic acids and their salts.
Chemical equation: C6H3 (CH3) 2COCH2CH3+H2O → C6H3 (CH3) 2COCH3+CH3CH2OH
Reaction conditions: Dilute sulfuric acid or hydrochloric acid is commonly used under acidic conditions, while sodium hydroxide or potassium hydroxide is commonly used under alkaline conditions. The reaction temperature is generally from room temperature to reflux temperature.
Total yield: The three-step total yield is 71.7%, indicating that this route has a high synthesis efficiency. Buy Medetomidine Hcl Cas-106807-72-1, Buy Medetomidine Hcl Cas-106807-72-1, Buy Medetomidine Hcl Cas-106807-72-1, Buy Medetomidine Hcl Cas-106807-72-1 Buy Medetomidine Hcl Cas-106807-72-1 Buy Medetomidine Hcl Cas-106807-72-1, Buy Medetomidine Hcl Cas-106807-72-1, Buy Medetomidine Hcl Cas-106807-72-1, Buy Medetomidine Hcl Cas-106807-72-1 Buy Medetomidine Hcl Cas-106807-72-1, Buy Medetomidine Hcl Cas-106807-72-1 Buy Medetomidine Hcl Cas-106807-72-1, Buy Medetomidine Hcl Cas-106807-72-1
Synthesis route using 2,3-dimethylaniline as raw material (low yield alternative)
Due to the low yield of this route (13.9%), it is only briefly mentioned here for reference.
Steps: diazotization, coupling, hydrolysis.
Description: Firstly, 2,3-dimethylaniline undergoes diazotization reaction to generate diazonium salts; Then, diazonium salts react with appropriate coupling agents (such as olefins, aromatics, etc.) to form intermediates; Finally, the intermediate was hydrolyzed to obtain 1- (2,3-dimethylphenyl) ethanone.
Synthesis of key intermediate 2- (2,3-dimethylphenyl) -2-methylepichlorohydrin
Reaction principle: Ketone raw materials undergo epoxidation reaction under the action of epoxidation reagents to generate epichlorohydrin compounds.
C6H3 (CH3) 2COCH3+(CH3) 3S+HSO4- → 2- (2,3-dimethylphenyl) -2-methylepichlorohydrin+byproduct
Reaction conditions: Use (CH3) 3S+HSO4- as the epoxidation reagent and carry out the reaction in an appropriate solvent (such as dichloromethane, chloroform, etc.). The reaction temperature needs to be optimized according to specific conditions to ensure high yield and low by-product generation.
Optimization direction: By using methods such as simplex optimization or response surface methodology, optimize parameters such as material ratio, reaction temperature, and reaction time to improve the yield of epoxidation.
Synthesis of the target compound medetomidine hCl
Reaction principle: Epoxy propane compounds can undergo isomerization reaction under appropriate conditions, forming compounds with different carbon skeleton structures. However, in the synthetic pathway of metoclopramide hydrochloride (hypothetical compound), directly isomerizing 2- (2,3-dimethylphenyl) -2-methylepichlorohydrin to the specific structure of the target compound may not be the most direct or effective method. Therefore, this step may require the combination of other reaction types, such as rearrangement, reduction, substitution, etc., to gradually construct the skeleton of the target compound.
To simplify the discussion, we assume that there are one or more intermediate steps through which epichlorohydrin is converted into an intermediate that is closer to the structure of the target compound. These steps may include:
Epoxypropane opens its ring under acidic or alkaline conditions to form the corresponding alcohol or aldehyde compounds. This step may not be necessary, but it can provide convenience for subsequent functional group conversion.
Through reactions such as oxidation, reduction, and substitution, the ring opened compound is converted into an intermediate containing the desired functional group of the target compound. For example, aldehyde groups can be reduced to alcohol groups or oxidized to carboxyl groups; Functional groups such as halogens and nitro groups can also be introduced through substitution reactions.
Under appropriate conditions, linear or branched intermediates are cyclized to reconstruct a cyclic structure. This step is one of the key steps in constructing the skeleton of the target compound.
If the target compound contains specific heterocyclic structures (such as imidazole ring, pyridine ring, etc.), it may need to be constructed through van Leesen reaction or similar heterocyclic synthesis reaction. The van Leesen reaction typically involves the condensation of ketone compounds with ammonia or amine compounds, followed by cyclization to form heterocycles. However, in the synthesis of metoclopramide hydrochloride, the specific reaction type and conditions may need to be adjusted according to the specific structure of the target compound.
Finally, the heterocyclic compound containing basic nitrogen atoms is reacted with inorganic acids such as hydrochloric acid to generate the corresponding hydrochloride salt, namely the target compound metoclopramide hydrochloride.
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99% Purity Medetomidine HCl Powder Medetomidine
Medetomidine is a highly selective α 2 – adrenergic receptor agonist with core effects of sedation, analgesia, and anti anxiety, and has a mild respiratory inhibitory effect.
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Medetomidine hydrochloride is a potent and highly selective α2-AR adrenoceptor agonist (Ki values are 1.08 and 1750 nM for α2- and α1-adrenoceptors respectively). Shows greater selectivity over α1 …
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