2-(But-3-en-1-yl)aniline

Base Information

• Chemical Name: 2-(But-3-en-1-yl)aniline
• CAS No.: 6992-97-8
• Molecular Formula: C10H13N
• Molecular Weight: 147.22
• Hs Code.: 2921420090
• European Community (EC) Number: 844-767-7
• Nikkaji Number: J1.632.741G
• Mol file: 6992-97-8.mol

Synonyms:2-(But-3-en-1-yl)aniline;6992-97-8;2-but-3-enylaniline;2-(3-butenyl)-aniline;Benzenamine, 2-(3-butenyl)-;SCHEMBL7098161;AKOS006340680;EN300-201471

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

Chemical Property:

• PSA: 26.02000
• LogP: 2.96860
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

98% ^*data from raw suppliers

2-(but-3-en-1-yl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCC1=CC=CC=C1N

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

There total 17 articles about 2-(But-3-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: 78.0%

1-(but-3-en-1-yl)-2-nitrobenzene (102330-20-1) → 2-(but-3-en-1-yl)aniline (6992-97-8)

Guidance literature:

With acetic acid; zinc; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201802466

Reference yield: 75.0%

1-bromo-2-(but-3-enyl)benzene (71813-50-8) → 2-(but-3-en-1-yl)aniline (6992-97-8)

Guidance literature:

With ammonium sulfate; (R)-(-)-1-[(S_P)-2-(dicyclohexylphosphino)ferrocenyl]ethyldi-tert-butylphosphine; bis(tri-ortho-tolylphosphine)palladium⁽⁰⁾; sodium t-butanolate; In 1,4-dioxane; at 100 ℃; for 12h; Inert atmosphere; Glovebox;

DOI:10.1021/ol501739g

Reference yield: 65.0%

2-methoxymethylaniline (62723-78-8) → 2-(but-3-en-1-yl)aniline (6992-97-8)

Guidance literature:

In tetrahydrofuran; at 0 - 25 ℃; for 12h;

DOI:10.1021/ja5034638

upstream raw materials:

1-(but-3-en-1-yl)-2-nitrobenzene

1-bromo-4-butene

nitrobenzene

tert-butyl (2-formylphenyl)carbamate

Downstream raw materials:

1-(but-3-en-1-yl)-2-(trifluoromethyl)benzene

N-[2-(but-3-en-1-yl)phenyl]-N-cyanoacetamide

N-[2-(but-3-en-1-yl)phenyl]cyanamide

C₂₀H₁₇NO₂