N,N-Dibutyl-4-iodoaniline

Base Information

• Chemical Name: N,N-Dibutyl-4-iodoaniline
• CAS No.: 90133-93-0
• Molecular Formula: C14H22IN
• Molecular Weight: 331.24
• DSSTox Substance ID: DTXSID80524395
• Nikkaji Number: J1.762.497K
• Wikidata: Q82391227
• Mol file: 90133-93-0.mol

Synonyms:N,N-Dibutyl-4-iodoaniline;90133-93-0;4-iodo-n,n-dibutylaniline;SCHEMBL353741;DTXSID80524395;QXKOAHSVQJZHGX-UHFFFAOYSA-N

Chemical Property of N,N-Dibutyl-4-iodoaniline

Chemical Property:

• PSA: 3.24000
• LogP: 4.69780
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 331.07970
• Heavy Atom Count: 16
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

N,N-DIBUTYL-4-IODOANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCN(CCCC)C1=CC=C(C=C1)I

Technology Process of N,N-Dibutyl-4-iodoaniline

There total 4 articles about N,N-Dibutyl-4-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: 96.0%

1-iodo-butane (542-69-8) + p-aminoiodobenzene (540-37-4) → N,N-dibutyl-4-iodo-1-aniline (90133-93-0)

Guidance literature:

With sodium carbonate; In N,N-dimethyl-formamide; at 95 ℃; for 20h;

DOI:10.1002/hlca.200490104

Reference yield: 86.0%

N-Dibutylaniline (613-29-6) → N,N-dibutyl-4-iodo-1-aniline (90133-93-0)

Guidance literature:

With sodium periodate; sulfuric acid; iodine; In water; acetic acid; at 40 ℃; for 8h; Reagent/catalyst;

DOI:10.1039/c5tc00723b

Reference yield: 78.0%

1-bromo-4-(N,N-dibutyl)aniline (53358-54-6) → N,N-dibutyl-4-iodo-1-aniline (90133-93-0)

Guidance literature:

1-bromo-4-(N,N-dibutyl)aniline; With tert.-butyl lithium; In diethyl ether; at -78 ℃; for 0.666667h;

With iodine; In diethyl ether;

upstream raw materials:

1-bromo-butane

p-aminoiodobenzene

1-iodo-butane

1-bromo-4-(N,N-dibutyl)aniline

Downstream raw materials:

(E)-{4-[2-(4-bromophenyl)vinyl]phenyl}dibutylamine

4-{{4-{[4-(dibutylamino)phenyl]ethynyl}-2,5-bis(octyloxy)phenyl}ethynyl}-2,5-bis(octyloxy)benzaldehyde

4-{{4-{{4-{[4-(dibutylamino)phenyl]ethynyl}-2,5-bis(octyloxy)phenyl}ethynyl}-2,5-bis(octyloxy)phenyl}ethynyl}-2,5-bis(ocyloxy)benzaldehyde

4,4'-(1,4-phenylenebis(ethyne-2,1-diyl))bis(N,N-dibutylaniline)

Refernces

• 1、 Cao, Hui,Gao, Hong,He, Wanli,Li, Zhitao,Miao, Zongcheng,Wang, Dong,Yang, Zhou,Zhao, Yuzhen. "Application of double click to prepare near-infrared absorbing dye for photo-thermal tuning of cholesteric liquid crystal". . . Retrieved 2020/03/24.
• 2、 Xu, An-Ping,Han, Hui-Hui,Lu, Jing,Yang, Pei-Pei,Gao, Yu-Juan,An, Hong-Wei,Zhanng, Di,Li, Li-Zhong,Zhang, Jing-Ping,Wang, Dong,Wang, Lei,Wang, Hao. "Charge transfer NIR dyes for improved photoacoustic effect". . p. 392 - 398. Retrieved 2015/12/01.