N,N-dimethyl-4-[(E)-non-1-enyl]aniline

Base Information

• Chemical Name: N,N-dimethyl-4-[(E)-non-1-enyl]aniline
• CAS No.: 5339-02-6
• Molecular Formula: C17H27N
• Molecular Weight: 245.403
• NSC Number: 3456
• DSSTox Substance ID: DTXSID50417760
• Wikidata: Q82227914

Synonyms:NSC3456;5339-02-6;DTXSID50417760;NSC-3456

Chemical Property of N,N-dimethyl-4-[(E)-non-1-enyl]aniline

Chemical Property:

• Vapor Pressure: 2.04E-05mmHg at 25°C
• Boiling Point: 361.7°Cat760mmHg
• Flash Point: 146.9°C
• Density: 0.917g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 245.214349865
• Heavy Atom Count: 18
• Complexity: 212

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC=CC1=CC=C(C=C1)N(C)C
• Isomeric SMILES: CCCCCCC/C=C/C1=CC=C(C=C1)N(C)C

Technology Process of N,N-dimethyl-4-[(E)-non-1-enyl]aniline

There total 3 articles about N,N-dimethyl-4-[(E)-non-1-enyl]aniline 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: 94.0%

n-hexylmagnesium chloride (44767-62-6) + 1-(4-(dimethyl amino)phenyl)prop-2-en-1-ol → (E)-N,N-dimethyl-4-(non-1-en-1-yl)aniline (5339-02-6)

Guidance literature:

With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In toluene; at 50 ℃; for 5h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.0c00008

Reference yield: 91.0%

(E)-3-{4-(N,N-dimethylamino)phenyl}prop-2-en-1-ol (20850-05-9) + n-hexylmagnesium chloride (44767-62-6) → (E)-N,N-dimethyl-4-(non-1-en-1-yl)aniline (5339-02-6)

Guidance literature:

With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In toluene; at 50 ℃; for 5h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.0c00008

Reference yield:

4-dimethylamino-benzaldehyde (100-10-7) → (E)-N,N-dimethyl-4-(non-1-en-1-yl)aniline (5339-02-6)

Guidance literature:

With diethyl ether; Hydrolysieren mit wss.H₂SO₄ und Erhitzen unter vermindertem Druck;

upstream raw materials:

4-dimethylamino-benzaldehyde

(E)-3-{4-(N,N-dimethylamino)phenyl}prop-2-en-1-ol

n-hexylmagnesium chloride

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