alpha-[(2-Nitro-1H-imidazole-1-yl)methyl]-7-azabicyclo[4.1.0]heptane-7-ethanol

Base Information

• Chemical Name: alpha-[(2-Nitro-1H-imidazole-1-yl)methyl]-7-azabicyclo[4.1.0]heptane-7-ethanol
• CAS No.: 120277-90-9
• Molecular Formula: C₁₂H₁₈N₄O₃
• Molecular Weight: 266.3
• ChEMBL ID: CHEMBL81984
• DSSTox Substance ID: DTXSID701025317
• Nikkaji Number: J421.197I
• Mol file: 120277-90-9.mol

Synonyms:120277-90-9;alpha-[(2-Nitro-1H-imidazole-1-yl)methyl]-7-azabicyclo[4.1.0]heptane-7-ethanol;1-(7-azabicyclo[4.1.0]heptan-7-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol;CHEMBL81984;SCHEMBL9678638;DTXSID701025317

Chemical Property of alpha-[(2-Nitro-1H-imidazole-1-yl)methyl]-7-azabicyclo[4.1.0]heptane-7-ethanol

Chemical Property:

• Melting Point: 88-89 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
• Boiling Point: 509.5±60.0 °C(Predicted)
• PKA: 14.06±0.20(Predicted)
• Density: 1.57±0.1 g/cm3(Predicted)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 266.13789045
• Heavy Atom Count: 19
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC2C(C1)N2CC(CN3C=CN=C3[N+](=O)[O-])O

Technology Process of alpha-[(2-Nitro-1H-imidazole-1-yl)methyl]-7-azabicyclo[4.1.0]heptane-7-ethanol

There total 2 articles about alpha-[(2-Nitro-1H-imidazole-1-yl)methyl]-7-azabicyclo[4.1.0]heptane-7-ethanol 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: 80.0%

7-azabicyclo[4.1.0]heptane (286-18-0) + 2-nitro-1-(2-oxiranylmethyl)-1H-imidazole (13551-90-1) → α-[(2-Nitro-1H-imidazol-1-yl)methyl]-7-aza-bicyclo[4.1.0]heptane-7-ethanol (120277-90-9)

Guidance literature:

In methanol; for 3h; Heating;

DOI:10.1021/jm00112a026

Reference yield:

7-azabicyclo[4.1.0]heptane (286-18-0) + 2-nitro1-oxarinylmethyl-1H-imidazole → α-[(2-nitro-1H-midazol-1-yl)methyl]-7-azabicyclo[4.1.0]-heptane-7-ethanol + α-[(2-Nitro-1H-imidazol-1-yl)methyl]-7-aza-bicyclo[4.1.0]heptane-7-ethanol (120277-90-9)

Guidance literature:

In methanol;

Reference yield: 93.0%

α-[(2-Nitro-1H-imidazol-1-yl)methyl]-7-aza-bicyclo[4.1.0]heptane-7-ethanol (120277-90-9) → trans-α-<<(2-bromocyclohexyl)amino>methyl>-2-nitro-1H-imidazole-1-ethanol hydrobromide (120278-03-7)

Guidance literature:

With hydrogen bromide; In ethanol; Heating;

DOI:10.1021/jm00112a026

upstream raw materials:

7-azabicyclo[4.1.0]heptane

2-nitro-1-(2-oxiranylmethyl)-1H-imidazole

Downstream raw materials:

trans-α-<<(2-bromocyclohexyl)amino>methyl>-2-nitro-1H-imidazole-1-ethanol hydrobromide

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 120277-90-9 α-[(2-Nitro-1H-imidazole-1-yl)methyl]-7-azabicyclo[4.1.0]heptane-7-ethanol

Send

Send

Metric Ton KG G Pound L ML

Send

Send