N-[(2E)-But-2-en-1-yl]aniline

Base Information

• Chemical Name: N-[(2E)-But-2-en-1-yl]aniline
• CAS No.: 6246-96-4
• Molecular Formula: C10H13 N
• Molecular Weight: 147.22
• NSC Number: 60289
• DSSTox Substance ID: DTXSID50418131
• Nikkaji Number: J1.505.867F,J153.209J
• Wikidata: Q82228453
• Mol file: 6246-96-4.mol

Synonyms:6246-96-4;NSC60289;N-(2-Butenyl)aniline;N-(2-Butenyl-)-anilin;N-((E)-2-Butenyl)aniline;N-CROTYLANILINE,TECH.;SCHEMBL2350761;SCHEMBL9668035;DTXSID50418131;[(E)-but-2-enyl]-phenyl-amine;N-[(2E)-But-2-en-1-yl]aniline;NSC-60289;AKOS006220511

Chemical Property of N-[(2E)-But-2-en-1-yl]aniline

Chemical Property:

• Vapor Pressure: 0.0335mmHg at 25°C
• Boiling Point: 242.7°C at 760 mmHg
• Flash Point: 101.3°C
• Density: 0.968g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCNC1=CC=CC=C1
• Isomeric SMILES: C/C=C/CNC1=CC=CC=C1

Technology Process of N-[(2E)-But-2-en-1-yl]aniline

There total 27 articles about N-[(2E)-But-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: 84.0%

but-2-enylidenephenylamine (71309-67-6) → N-(2-buten-1-yl)aniline (6246-96-4)

Guidance literature:

With hydrogen; In toluene; at 20 ℃; for 48h; under 7500.75 Torr; Glovebox; Autoclave;

DOI:10.1002/anie.201903763

Reference yield: 80.0%

(E/Z)-crotyl bromide (4784-77-4,29576-14-5,39616-19-8) + aniline (62-53-3) → N-(2-buten-1-yl)aniline (6246-96-4)

Guidance literature:

With phenyllithium;

Reference yield: 71.0%

2-hydroxy-3-butene (598-32-3) + aniline (62-53-3) → N-(2-buten-1-yl)aniline (6246-96-4)

Guidance literature:

2-hydroxy-3-butene; aniline; With n-butyllithium; titanium tetrachloride; diethylamine; In toluene; at -20 ℃;

With trimethylsilyl iodide; for 24h; Reflux;

DOI:10.1039/c5ra18503c

upstream raw materials:

2-phenyl-3,6-dihydro-2H-[1,2]oxazine

(Z)-4-(phenylamino)but-2-en-1-ol

aniline hydrochloride

buta-1,3-diene

Downstream raw materials:

N-(2-butenyl)acetanilide

4-Methyl-oxazole-5-carboxylic acid ((E)-but-2-enyl)-phenyl-amide

(-)-(S)-2-(1'-methylallyl)aniline

N-((Z)-But-2-enyl)-4-methyl-N-phenyl-benzenesulfonamide