Medetomidine hydrochloride

Base Information

• Chemical Name: Medetomidine hydrochloride
• CAS No.: 86347-15-1
• Molecular Formula: C13H16N2^.HCl
• Molecular Weight: 236.744
• Hs Code.: 2942000000
• European Community (EC) Number: 645-306-0,682-047-2
• UNII: BH210P244U
• DSSTox Substance ID: DTXSID3045691
• Wikidata: Q27121262
• NCI Thesaurus Code: C81368
• RXCUI: 29428
• ChEMBL ID: CHEMBL537161
• Mol file: 86347-15-1.mol

Synonyms:Hydrochloride, Medetomidine;Levomedetomidine;Medetomidine;Medetomidine Hydrochloride;MPV 785;MPV-785;MPV785

Chemical Property of Medetomidine hydrochloride

Chemical Property:

• Appearance/Colour: White or off white crystalline powder
• Vapor Pressure: 1.08E-05mmHg at 25°C
• Melting Point: 164-166°C
• Boiling Point: 381.9 °C at 760 mmHg
• Flash Point: 191.3 °C
• PSA: 28.68000
• LogP: 3.98030
• Storage Temp.: Refrigerator
• Solubility.: Acetonitrile (Slightly), Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 236.1080262
• Heavy Atom Count: 16
• Complexity: 205

Purity/Quality:

99%min ^*data from raw suppliers

Medetomidine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl
• Uses: Medetomidine is a selective α2-adrenoceptor agonist, with Ki of 1.08 nM, exhibts 1620-fold selectivity over α1-adrenoceptor An α2-Adrenergic agonist. Sedative; analgesic. α2-Adrenergic agonist. Sedative; analgesic.

Technology Process of Medetomidine hydrochloride

There total 15 articles about Medetomidine hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.5%

→ (±)-4-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride (86347-15-1)

Guidance literature:

In water; acetone; at 0 - 58 ℃; for 3.75 - 5.25h; Purification / work up;

Reference yield: 89.0%

1-(4-imidazolyl)-1-(2,3-dimethylphenyl)ethylene (1021949-47-2) → (±)-4-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride (86347-15-1)

Guidance literature:

1-(4-imidazolyl)-1-(2,3-dimethylphenyl)ethylene; With hydrogen; 5%-palladium/activated carbon; In methanol; water; at 44 - 46 ℃; for 1.5h; under 1575.16 Torr;

With hydrogenchloride; In water; at -10 - 42 ℃; for 2.5 - 3h;

Reference yield: 77.5%

1-(1-chloroethyl)-2,3-dimethylbenzene (60907-88-2) + tert-butyl 1H-imidazole-1-carboxylate (49761-82-2) → (±)-4-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride (86347-15-1)

Guidance literature:

tert-butyl 1H-imidazole-1-carboxylate; With titanium tetrachloride; In dichloromethane; at -3 - 5 ℃; for 0.5h;

1-(1-chloroethyl)-2,3-dimethylbenzene; In dichloromethane; at 5 - 22 ℃; for 3h; Temperature; Reagent/catalyst;

upstream raw materials:

1-(4-imidazolyl)-1-(2,3-dimethylphenyl)ethylene

medetomidine

2-bromo-3-(2,3-dimethylphenyl)butanal

formamidine acetic acid

Downstream raw materials:

medetomidine

(+)-(S)-4-(1-[2,3-dimethylphenyl]ethyl)-1H-imidazole hydrochloride

Refernces

• 1、 -. "Preparation method of dexmedetomidine hydrochloride". . . Retrieved 2020/06/20.
• 2、 -. "PROCESS FOR THE PREPARATION OF MEDETOMIDINE". Page/Page column 13; 15-16. . Retrieved 2009/05/28.