2-(2-Methylpropyl)azepane

Base Information

• Chemical Name: 2-(2-Methylpropyl)azepane
• CAS No.: 80053-55-0
• Molecular Formula: C₁₀H₂₁N
• Molecular Weight: 155.283
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID00398414
• Mol file: 80053-55-0.mol

Synonyms:2-(2-methylpropyl)azepane;80053-55-0;2-ISOBUTYLAZEPANE;2-Isobutylazepane, AldrichCPR;SCHEMBL18648051;DTXSID00398414;BBL021217;MFCD02663711;STK893923;AKOS005143950;VS-07131;CS-0262831;EN300-83895;Z992736924

Chemical Property of 2-(2-Methylpropyl)azepane

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 155.167399674
• Heavy Atom Count: 11
• Complexity: 99

Purity/Quality:

97% ^*data from raw suppliers

2-(2-methylpropyl)azepane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC1CCCCCN1

Technology Process of 2-(2-Methylpropyl)azepane

There total 1 articles about 2-(2-Methylpropyl)azepane 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:

triisobutylaluminum (100-99-2,130565-62-7) + cyclohexanone oxime methanesulfonate (80053-69-6) → 2-Isobutyl-azepane (80053-55-0)

Guidance literature:

With diisobutylaluminium hydride; Yield given. Multistep reaction; 1.) CH₂Cl₂, 0 deg C, 1 h, 2.) 0 deg C, 1 h;

DOI:10.1021/ja00347a052

Reference yield:

2-iodobenzene-1-sulfonyl chloride (63059-29-0) + 2-Isobutyl-azepane (80053-55-0) → C16H24INO2S

Guidance literature:

With dmap; In dichloromethane; at 20 ℃; Inert atmosphere; Glovebox;

DOI:10.1021/jacs.8b00488

Reference yield:

Benzyl isocyanide (88333-03-3,10340-91-7) + 2-Isobutyl-azepane (80053-55-0) + isobutyraldehyde (78-84-2) → 1-[1-(1-benzyl-1H-tetrazol-5-yl)-2-methylpropyl]-2-isobutylazepane + 1-[1-(1-benzyl-1H-tetrazol-5-yl)-2-methylpropyl]-2-isobutylazepane

Guidance literature:

With trimethylsilylazide; In tert-butyl alcohol; at 4 ℃; for 24h; Overall yield = 82 %; Overall yield = 61 mg; diastereoselective reaction;

DOI:10.1021/acs.joc.7b00611

upstream raw materials:

triisobutylaluminum

cyclohexanone oxime methanesulfonate