Benzenamine, N-[1-(2-propenyl)-3-butenyl]-

Base Information

• Chemical Name: Benzenamine, N-[1-(2-propenyl)-3-butenyl]-
• CAS No.: 21855-35-6
• Molecular Formula: C13H17N
• Molecular Weight: 187.28100
• DSSTox Substance ID: DTXSID20465394
• Nikkaji Number: J1.769.819B
• Wikidata: Q82291316

Synonyms:Benzenamine, N-[1-(2-propenyl)-3-butenyl]-;21855-35-6;DTXSID20465394

Chemical Property of Benzenamine, N-[1-(2-propenyl)-3-butenyl]-

Chemical Property:

• PSA: 12.03000
• LogP: 3.69230
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 187.136099547
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC(CC=C)NC1=CC=CC=C1

Technology Process of Benzenamine, N-[1-(2-propenyl)-3-butenyl]-

There total 7 articles about Benzenamine, N-[1-(2-propenyl)-3-butenyl]- 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: 95.0%

allyl bromide (106-95-6) + Formanilid (103-70-8) → N-(1-[2-propen-1-yl]-3-buten-1-yl)benzenamine (21855-35-6)

Guidance literature:

allyl bromide; With samarium; In tetrahydrofuran; at 20 ℃; for 1h;

Formanilid; In ethanol; at 20 ℃; for 1h;

Reference yield: 91.0%

allyl bromide (106-95-6) + Benzaldoxime (932-90-1) → N-(1-[2-propen-1-yl]-3-buten-1-yl)benzenamine (21855-35-6)

Guidance literature:

With samarium; iodine; In tetrahydrofuran; at 20 ℃; for 0.333333h;

DOI:10.1016/S0040-4039(02)01042-0

Reference yield: 89.0%

benzaldehyde O-methyloxime (3376-32-7,10229-53-5,10229-54-6) + allylmagnesium bromide (1730-25-2) → N-(1-[2-propen-1-yl]-3-buten-1-yl)benzenamine (21855-35-6)

Guidance literature:

In tetrahydrofuran; dichloromethane; at 20 ℃; for 0.666667h; Inert atmosphere;

DOI:10.1002/ejoc.201501241

upstream raw materials:

Benzaldehyd-O-butyloxim

allylmagnesium bromide

allyl bromide

ethyl N-phenylformimidate

Downstream raw materials:

2-allyl-6-methylene-1-phenyl-2,3,6,7-tetrahydro-1H-azepine

2-allyl-6-methylene-1-phenyl-2,3,6,7-tetrahydro-1H-azepine

C₁₆H₁₉N

N-(hepta-1,6-dien-4-yl)-N-(prop-2-ynyl)aniline

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