N-(But-3-en-1-yl)-2-iodoaniline

Base Information

• Chemical Name: N-(But-3-en-1-yl)-2-iodoaniline
• CAS No.: 118670-86-3
• Molecular Formula: C10H12IN
• Molecular Weight: 273.116
• DSSTox Substance ID: DTXSID10552747
• Wikidata: Q82433117
• Mol file: 118670-86-3.mol

Synonyms:118670-86-3;N-(But-3-en-1-yl)-2-iodoaniline;DTXSID10552747;AKOS013636329

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

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 273.00145
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CCCNC1=CC=CC=C1I

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

There total 5 articles about N-(But-3-en-1-yl)-2-iodoaniline 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: 87.0%

N-(3-butenyl)-N-methoxycarbonyl-o-iodoaniline → N-(but-3-en-1-yl)-2-iodoaniline (118670-86-3)

Guidance literature:

N-(3-butenyl)-N-methoxycarbonyl-o-iodoaniline; With potassium hydroxide; In 2-methoxy-ethanol; for 24h; Reflux;

With water; In 2-methoxy-ethanol;

DOI:10.1002/ejoc.201300048

Reference yield: 45.0%

3-butene-1-amine (2524-49-4) + 2-iodophenylamine (615-43-0) → N-(but-3-en-1-yl)-2-iodoaniline (118670-86-3)

Guidance literature:

2-iodophenylamine; With methyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

3-butene-1-amine; In tetrahydrofuran; at -78 - 20 ℃; for 48h; Inert atmosphere;

DOI:10.1002/ejoc.202001018

Reference yield: 32.0%

1-bromo-4-butene (5162-44-7) + 2-iodophenylamine (615-43-0) → N-(but-3-en-1-yl)-2-iodoaniline (118670-86-3)

Guidance literature:

2-iodophenylamine; With methyllithium; In tetrahydrofuran; diethyl ether; at -78 ℃; for 0.5h; Inert atmosphere;

1-bromo-4-butene; In tetrahydrofuran; diethyl ether; at -78 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1021/jo301924e

upstream raw materials:

1-bromo-4-butene

2-iodophenylamine

3-butene-1-amine

Downstream raw materials:

4-methyl-1,2,3,4-tetrahydroquinoline

1-(4-methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one

N-(but-3-en-1-yl)-2-iodo-N-methylaniline

1-methyl-1,2,3,4-tetrahydroquinolin-4-one