n-(3-Methylbut-2-en-1-yl)aniline

Base Information

• Chemical Name: n-(3-Methylbut-2-en-1-yl)aniline
• CAS No.: 27125-60-6
• Molecular Formula: C11H15 N
• Molecular Weight: 161.247
• NSC Number: 97558
• DSSTox Substance ID: DTXSID00294649
• Nikkaji Number: J475.400J
• Mol file: 27125-60-6.mol

Synonyms:n-(3-methylbut-2-en-1-yl)aniline;27125-60-6;NSC97558;SCHEMBL563811;DTXSID00294649;KTOUJJBMKPFUNA-UHFFFAOYSA-N;NSC-97558;(3-Methyl-but-2-enyl)-phenyl-amine;AKOS026737743

Chemical Property of n-(3-Methylbut-2-en-1-yl)aniline

Chemical Property:

• Vapor Pressure: 0.0129mmHg at 25°C
• Boiling Point: 259.5°Cat760mmHg
• Flash Point: 111.5°C
• Density: 0.957g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 161.120449483
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCNC1=CC=CC=C1)C

Technology Process of n-(3-Methylbut-2-en-1-yl)aniline

There total 44 articles about n-(3-Methylbut-2-en-1-yl)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: 88.0%

3,3-dimethyl acrylaldehyde (107-86-8) + nitrobenzene (98-95-3,26969-40-4) → N-(3-methylbut-2-enyl)aniline (27125-60-6) + aniline (62-53-3)

Guidance literature:

With Au/Al₂O₃; hydrogen; In toluene; at 80 ℃; under 37503.8 Torr; Flow reactor;

DOI:10.1039/c6ra20904a

Reference yield: 86.0%

2-methyl-3-buten-2-ol (115-18-4) + aniline (62-53-3) → N-(3-methylbut-2-enyl)aniline (27125-60-6) + N,N-bis(3-methylbut-2-ene-1-yl)aniline (36127-33-0)

Guidance literature:

With dichloro( 1,5-cyclooctadiene)platinum(ll); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In N,N-dimethyl-formamide; at 60 ℃; for 1h; Microwave irradiation;

DOI:10.1021/ja9046075

Reference yield: 85.0%

aniline (62-53-3) + 3-methyl-2-buten-1-ol (556-82-1) → N-(3-methylbut-2-enyl)aniline (27125-60-6) + N,N-bis(3-methylbut-2-ene-1-yl)aniline (36127-33-0)

Guidance literature:

With dichloro( 1,5-cyclooctadiene)platinum(ll); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In N,N-dimethyl-formamide; at 60 ℃; for 48h;

DOI:10.1021/ja9046075

upstream raw materials:

N-(3-methyl-but-2-enyl)-formanilide

aniline

3,3-dimethyl-allyl chloride

prenyl diisopropyl phosphate

Downstream raw materials:

(3-Methyl-but-2-enyl)-((E)-1-methyl-but-2-enyl)-phenyl-amine

N-isopentylaniline

(3-Methyl-but-2-enyl)-phenyl-carbamic acid ethyl ester

4-methyl-N-(3-methylbut-2-enyl)-N-phenylbenzenesulfonamide