1H-imidazol-1-ium-5-ylmethanol;chloride

Base Information

• Chemical Name: 1H-imidazol-1-ium-5-ylmethanol;chloride
• CAS No.: 32673-41-9
• Molecular Formula: C4H6N2O^.HCl
• Molecular Weight: 134.565
• Hs Code.: 29332900
• Mol file: 32673-41-9.mol

Synonyms:

Chemical Property of 1H-imidazol-1-ium-5-ylmethanol;chloride

Chemical Property:

• Appearance/Colour: light yellow to beige or light brown crystalline
• Vapor Pressure: 6.63E-07mmHg at 25°C
• Melting Point: 110 °C
• Boiling Point: 393.7 °C at 760 mmHg
• Flash Point: 191.9 °C
• PSA: 48.91000
• Density: 1.311g/cm³
• LogP: 0.70400
• Storage Temp.: −20°C
• Solubility.: water: soluble50mg/mL, clear to slightly hazy, colorless to yell
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 134.0246905
• Heavy Atom Count: 8
• Complexity: 117

Purity/Quality:

99%min ^*data from raw suppliers

4-(Hydroxymethyl)imidazole,Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C([NH2+]C=N1)CO.[Cl-]
• Uses: Synthesis of imidazole-containing peptidomimetic inhibitors.1 4-Imidazolemethanol hydrochloride was used in the synthesis of imidazole-containing peptidomimetic inhibitors.

Technology Process of 1H-imidazol-1-ium-5-ylmethanol;chloride

There total 4 articles about 1H-imidazol-1-ium-5-ylmethanol;chloride 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: 99.0%

4-(fluoromethyl)-1-trityl-1H-imidazole → 4-hydroxymethyl-1H-imidazole hydrochloride (32673-41-9) + 4-(fluoromethyl)imidazole hydrochloride

Guidance literature:

With hydrogenchloride; In acetic acid; at 20 ℃; for 1h;

DOI:10.1135/cccc20021335

Reference yield: 87.5%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + dihydroxyacetone (96-26-4,26776-70-5) → 4-hydroxymethyl-1H-imidazole hydrochloride (32673-41-9)

Guidance literature:

With hydrogenchloride; ammonium cerium (IV) nitrate; sodium ethanolate; In ethanol; acetonitrile; at 60 ℃; for 8h; pH=10; Reagent/catalyst;

Reference yield:

dihydroxyacetone (96-26-4,26776-70-5) + formamidine acetic acid (3473-63-0) → 4-hydroxymethyl-1H-imidazole hydrochloride (32673-41-9)

Guidance literature:

With hydrogenchloride; ammonia; Yield given. Multistep reaction; 1.) 70 deg C, 420 psi, 6h, 2.) isopropyl alcohol, 0 deg C;

upstream raw materials:

dihydroxyacetone

formamidine acetic acid

formaldehyd

fructopyranose

Downstream raw materials:

Cyclohexyl-[2-(1H-imidazol-4-ylmethylsulfanyl)-ethyl]-amine; hydrobromide

1-benzyl-5-hydroxymethylimidazole

N¹-Benzyl-4-hydroxymethylimidazole

2-<(4-bromophenyl)diazenyl>-imidazole-4(5)-methanol

Refernces

• 1、 Dolensky, Bohumil,Kirk, Kenneth L.. "Preparation of (fluoromethyl)- and (difluoromethyl)imidazoles". . p. 1335 - 1344. Retrieved 2007/10/03.
• 2、 Griffith, R.K.,DiPietro, R.A.. "An Improved Preparation of Imidazole-4(5)-methanol Hydrochloride". . p. 576. Retrieved 2007/10/02.