Octan-4-amine

Base Information

• Chemical Name: Octan-4-amine
• CAS No.: 1117-33-5
• Molecular Formula: C₈H₁₉N
• Molecular Weight: 129.246
• DSSTox Substance ID: DTXSID001317820
• Nikkaji Number: J837.292F
• Wikidata: Q5652296

Synonyms:Octan-4-amine;4-Octanamine;1117-33-5;N-Butyl-1-butanamin;SCHEMBL345042;DTXSID001317820;BAA11733;AKOS009392113;EN300-99810;Q5652296

Chemical Property of Octan-4-amine

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 129.151749610
• Heavy Atom Count: 9
• Complexity: 52.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CCC)N

Technology Process of Octan-4-amine

There total 1 articles about Octan-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:

octan-4-ol (589-62-8) → octan-4-one (589-63-9) + ethyl-2-hexylamine (1117-33-5)

Guidance literature:

With ammonia; In 5,5-dimethyl-1,3-cyclohexadiene; at 20 - 140 ℃; for 72h; under 3000.3 Torr; Sealed tube; Autoclave;

DOI:10.1021/cs3007473

Reference yield:

ethyl-2-hexylamine (1117-33-5) + acetic acid (64-19-7,77671-22-8) → trans-4-Octene (14850-23-8) + cis-3-octene (14850-22-7) + (E)-3-octene (14919-01-8) + 1-ethylhexyl acetate (4864-61-3,50373-56-3) + acetic acid 4-octyl ester (5921-87-9,140238-33-1,140238-34-2) + (Z)-oct-4-ene (7642-15-1)

Guidance literature:

With potassium acetate; sodium nitrite; at 25 ℃; Rate constant;

Reference yield:

ethyl-2-hexylamine (1117-33-5) + 1-(4-acetylphenyl)diazonium tetrafluoroborate (350-47-0) → 4-octyl-p-acetylphenyltriazene (82834-22-8)

Guidance literature:

With sodium carbonate; In acetonitrile; 1) (-10) deg C - (-5) deg C, 10 min; 2) 20 min;

upstream raw materials:

octan-4-ol

Downstream raw materials:

4-octyl-p-acetylphenyltriazene

C₁₄H₂₃N₃

C₁₅H₂₅N₃

4-octyl-p-nitrophenyltriazene

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