1-(3-Methyl-4-nitrophenyl)-[1,4]diazepane

Base Information

• Chemical Name: 1-(3-Methyl-4-nitrophenyl)-[1,4]diazepane
• CAS No.: 220220-20-2
• Molecular Formula: C12H17N3O2
• Molecular Weight: 235.286
• DSSTox Substance ID: DTXSID901215853
• Mol file: 220220-20-2.mol

Synonyms:1-(3-methyl-4-nitrophenyl)-[1,4]diazepane;SCHEMBL5202277;ZXWIRAVMKNGJDH-UHFFFAOYSA-N;DTXSID901215853;AKOS005831971;220220-20-2;1-(3-methyl-4-nitrophenyl)-[1,4]diazapane;Hexahydro-1-(3-methyl-4-nitrophenyl)-1H-1,4-diazepine

Chemical Property of 1-(3-Methyl-4-nitrophenyl)-[1,4]diazepane

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 235.132076794
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)N2CCCNCC2)[N+](=O)[O-]

Technology Process of 1-(3-Methyl-4-nitrophenyl)-[1,4]diazepane

There total 1 articles about 1-(3-Methyl-4-nitrophenyl)-[1,4]diazepane 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: 33.0%

C14H19N3O3 (497249-20-4) → 1-(3-methyl-4-nitrophenyl)-[1,4]diazepane (220220-20-2)

Guidance literature:

With hydrogenchloride; water; at 100 ℃; for 30h; Heating / reflux;

Reference yield: 72.0%

1-(3-methyl-4-nitrophenyl)-[1,4]diazepane (220220-20-2) → 4-[1,4]diazepan-1-yl-2-methylphenylamine dihydrochloride

Guidance literature:

1-(3-methyl-4-nitrophenyl)-[1,4]diazepane; With hydrogen; 5%-palladium/activated carbon; In ethanol; isopropyl alcohol; at 20 ℃; for 3h; under 6750.68 Torr;

With hydrogenchloride; In ethanol; water; isopropyl alcohol;

upstream raw materials:

C₁₄H₁₉N₃O₃

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