1-Methyl-5-aminomethylimidazole

Base Information

• Chemical Name: 1-Methyl-5-aminomethylimidazole
• CAS No.: 486414-86-2
• Molecular Formula: C₅H₉N₃
• Molecular Weight: 111.147
• Hs Code.: 2933290090
• European Community (EC) Number: 803-736-8
• DSSTox Substance ID: DTXSID00383663
• ChEMBL ID: CHEMBL4528337
• Mol file: 486414-86-2.mol

Synonyms:486414-86-2;1-Methyl-5-aminomethylimidazole;(1-Methyl-1h-Imidazol-5-Yl)Methylamine;(1-methyl-1H-imidazol-5-yl)methanamine;(3-methylimidazol-4-yl)methanamine;1H-Imidazole-5-methanamine, 1-methyl-;MFCD06200858;5-(Aminomethyl)-1-methyl-1H-imidazole;SCHEMBL240920;CHEMBL4528337;DTXSID00383663;PYAQTQXFMQWCHQ-UHFFFAOYSA-N;1-Methyl-5-(aminomethyl)imidazole;AKOS006335674;AC-7137;PB24886;PS-3715;AM803945;SY004189;1-(1-methyl-1H-imidazole-5-yl)methanamine;A7343;CS-0053654;FT-0742893;EN300-215605;(1-methyl-1H-imidazol-5-yl)methylamine, AldrichCPR;C-(3-METHYL-3H-IMIDAZOL-4-YL)-METHYLAMINE;J-500210;(3-BOC-AMINO-PIPERIDIN-1-YL)-THIOPHEN-3-YL-ACETICACID

Chemical Property of 1-Methyl-5-aminomethylimidazole

Chemical Property:

• Vapor Pressure: 0.00186mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 292.2 °C at 760 mmHg
• PKA: 9.38±0.29(Predicted)
• Flash Point: 130.5 °C
• PSA: 43.84000
• Density: 1.16 g/cm³
• LogP: 0.57910
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.079647300
• Heavy Atom Count: 8
• Complexity: 74.1

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-5-aminomethylimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 34-41-37/38
• Safety Statements: 26-36/37/39-39

MSDS Files:

Useful:

• Canonical SMILES: CN1C=NC=C1CN
• Uses: 1-Methyl-5-aminomethylimidazole (cas# 486414-86-2) is a compound useful in organic synthesis.

Technology Process of 1-Methyl-5-aminomethylimidazole

There total 3 articles about 1-Methyl-5-aminomethylimidazole 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: 86.0%

3-methyl-3H-imidazole-4-carboxylic acid amide (40637-81-8) → 1‐methyl‐5‐aminomethylimidazole (486414-86-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; Heating / reflux;

Reference yield: 86.0%

→ 1‐methyl‐5‐aminomethylimidazole (486414-86-2)

Guidance literature:

Reference yield:

1-methyl-1H-imidazole-5-carboxylic acid (41806-40-0) → 1‐methyl‐5‐aminomethylimidazole (486414-86-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C

1.2: 20 °C

2.1: lithium aluminium tetrahydride / tetrahydrofuran / Reflux

With lithium aluminium tetrahydride; oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;

upstream raw materials:

3-methyl-3H-imidazole-4-carboxylic acid amide

1-methyl-1H-imidazole-5-carboxylic acid

Downstream raw materials:

5-butyl-N-((1-methyl-1H-imidazol-5-yl)methyl)-1-(5-methyl-4-phenoxypyrimidin-2-yl)-1H-pyrazole-4-carboxamide

Refernces

• 1、 -. "ANTIPROLIFERATIVE 2-(SULFO-PHENYL)-AMINOTHIAZOLE DERIVATIVES". Page 55-56. . Retrieved 2010/02/08.
• 2、 -. "NOVEL COMPOUNDS". Page/Page column 62. . Retrieved 2008/06/13.