(1-methyl-1H-imidazol-4-yl)methanamine

Base Information

• Chemical Name: (1-methyl-1H-imidazol-4-yl)methanamine
• CAS No.: 486414-83-9
• Molecular Formula: C₅H₉N₃
• Molecular Weight: 111.147
• Hs Code.: 2933299090
• European Community (EC) Number: 691-154-3
• DSSTox Substance ID: DTXSID40383546
• Wikidata: Q72491633
• Mol file: 486414-83-9.mol

Synonyms:486414-83-9;(1-methyl-1H-imidazol-4-yl)methanamine;(1-Methyl-1H-imidazol-4-yl)methylamine;(1-methylimidazol-4-yl)methanamine;4-(AMINOMETHYL)-1-METHYLIMIDAZOLE;1H-Imidazole-4-methanamine, 1-methyl-;MFCD06411536;SCHEMBL246132;1-Methylimidazol-4-ylmethanamine;DTXSID40383546;CHEBI:194868;YSEAGFBRAQOCFM-UHFFFAOYSA-N;AKOS006345442;PB10356;AS-34260;SY035068;[(1-methyl-1H-imidazol-4-yl)methyl]amine;A7342;AM20100201;CS-0053657;FT-0602678;EN300-305701;(1-methyl-1H-imidazol-4-yl)methylamine, AldrichCPR;C-(1-METHYL-1H-IMIDAZOL-4-YL)-METHYLAMINE;J-500207;4-(Aminomethyl)-1-methylimidazole

Chemical Property of (1-methyl-1H-imidazol-4-yl)methanamine

Chemical Property:

• Boiling Point: 292.187 °C at 760 mmHg
• PKA: 8.23±0.29(Predicted)
• Flash Point: 130.51 °C
• PSA: 43.84000
• Density: 1.16 g/cm³
• LogP: 0.57910
• Storage Temp.: 2-8°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:

98%,99%, ^*data from raw suppliers

(1-Methyl-1H-imidazol-4-yl)methylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 34-22-41-37/38
• Safety Statements: 26-36/37/39-45-23-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(N=C1)CN

Technology Process of (1-methyl-1H-imidazol-4-yl)methanamine

There total 3 articles about (1-methyl-1H-imidazol-4-yl)methanamine 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: 71.0%

1-methyl-1H-imidazole-4-carboxylic acid amide (129993-47-1) → C-(1-methyl-1H-imidazol-4-yl)methylamine (486414-83-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; water; at 0 - 70 ℃; for 48h;

Reference yield:

1-methylimidazole-4-carboxylic acid (41716-18-1) → C-(1-methyl-1H-imidazol-4-yl)methylamine (486414-83-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 5 h / 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;

Reference yield:

1-methyl-1H-imidazole-4-carbonyl chloride (143165-09-7) → C-(1-methyl-1H-imidazol-4-yl)methylamine (486414-83-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonia / N,N-dimethyl-formamide; dichloromethane / 16 h / 0 - 20 °C

2: lithium aluminium tetrahydride / tetrahydrofuran; water / 48 h / 0 - 70 °C

With lithium aluminium tetrahydride; ammonia; In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

1-methyl-1H-imidazole-4-carboxylic acid amide

1-methylimidazole-4-carboxylic acid

1-methyl-1H-imidazole-4-carbonyl chloride

Downstream raw materials:

2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-((1-methyl-1H-imidazol-4-yl)methyl)thiazole-5-carboxamide

Refernces

• 1、 -. "SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF". Paragraph 00412. . Retrieved 2018/08/03.