1-Methyl-1H-imidazol-4-amine

Base Information

• Chemical Name: 1-Methyl-1H-imidazol-4-amine
• CAS No.: 79578-98-6
• Molecular Formula: C4H7N3
• Molecular Weight: 97.1197
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID80447515
• Nikkaji Number: J507.005H
• Wikidata: Q72491496
• Mol file: 79578-98-6.mol

Synonyms:1-METHYL-1H-IMIDAZOL-4-AMINE;79578-98-6;1-methylimidazol-4-amine;1-METHYL-1H-IMIDAZOL-4-YLAMINE;1H-Imidazol-4-amine, 1-methyl-;DTXSID80447515;JABBOSBXQIXTPB-UHFFFAOYSA-N;MFCD02597572;AKOS015919650;AB11896;AM85916;FT-0738181;EN300-211485;F13269

Chemical Property of 1-Methyl-1H-imidazol-4-amine

Chemical Property:

• Boiling Point: 323.0±15.0 °C(Predicted)
• PKA: 7.63±0.61(Predicted)
• PSA: 43.84000
• Density: 1.22±0.1 g/cm3 (20 oC 760 Torr)
• LogP: 0.58350
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 97.063997236
• Heavy Atom Count: 7
• Complexity: 64

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-1H-imidazol-4-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(N=C1)N
• Uses: 1-Methyl-1H-imidazol-4-amine can be used as inhibitors of CD38 to treat cancer.

Technology Process of 1-Methyl-1H-imidazol-4-amine

There total 2 articles about 1-Methyl-1H-imidazol-4-amine 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: 98.0%

1-methyl-4-nitro-1H-imidazole (3034-41-1) → 1-methyl-1H-imidazol-4-amine (79578-98-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃;

Reference yield:

→ 1-methyl-1H-imidazol-4-amine (79578-98-6)

Guidance literature:

Reference yield: 73.0%

(4-chloro-6-methylthieno[3,2-d]pyrimidin-2-yl)(4-fluorophenyl)methanone (1362710-79-9) + 1-methyl-1H-imidazol-4-amine (79578-98-6) → (4-fluorophenyl)(6-methyl-4-(1-methyl-1H-imidazol-4-ylamino)thieno[2,3-d]pyrimidin-2-yl)methanone (1362711-12-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 90 ℃; for 2h;

upstream raw materials:

1-methyl-4-nitro-1H-imidazole

Downstream raw materials:

4-tert-butyloxycarbonylamino-1-methylimidazole

1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridine

1,6-Dimethylimidazo<4,5-b>pyridine

C₁₃H₁₅N₃O₂