4-(IsopropylaMino-Methyl)-benzonitrile

Base Information

• Chemical Name: 4-(IsopropylaMino-Methyl)-benzonitrile
• CAS No.: 91350-01-5
• Molecular Formula: C11H14N2
• Molecular Weight: 174.246
• Hs Code.: 2926909090
• Mol file: 91350-01-5.mol

Synonyms:4-((Isopropylamino)methyl)benzonitrile;p-Tolunitrile, α-(isopropylamino)-;

Chemical Property of 4-(IsopropylaMino-Methyl)-benzonitrile

Chemical Property:

• PSA: 35.82000
• LogP: 2.44718

Purity/Quality:

97% ^*data from raw suppliers

4-((Isopropylamino)methyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(IsopropylaMino-Methyl)-benzonitrile

There total 3 articles about 4-(IsopropylaMino-Methyl)-benzonitrile 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: 88.0%

4-cyano-N-isopropylbenzamide (70380-44-8) → 4-[(isopropylamino)methyl]benzonitrile (91350-01-5)

Guidance literature:

4-cyano-N-isopropylbenzamide; With 2-fluoropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 0 ℃; for 0.333333h;

With 1,1,3,3-Tetramethyldisiloxane; In dichloromethane; at 0 - 20 ℃; for 3.16667h;

With tris(pentafluorophenyl)borate; In dichloromethane; at 0 - 20 ℃; chemoselective reaction;

DOI:10.1021/acs.joc.6b00572

Reference yield: 38.0%

isopropylamine (75-31-0) + 4-cyanobenzaldehyde (105-07-7) → 4-[(isopropylamino)methyl]benzonitrile (91350-01-5)

Guidance literature:

With sodium cyanoborohydride; acetic acid; In methanol; at 0 - 20 ℃;

Reference yield:

isopropylamine (75-31-0) + 4-cyanobenzyl bromide (17201-43-3) → 4-[(isopropylamino)methyl]benzonitrile (91350-01-5)

Guidance literature:

In dichloromethane; isopropyl alcohol; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2016.03.040

upstream raw materials:

isopropylamine

4-cyanobenzaldehyde

4-cyanobenzyl bromide

4-cyano-N-isopropylbenzamide

Downstream raw materials:

4-[N-(tert-butoxycarbonyl)-N-(iso-propyl)-aminomethyl]-benzonitrile

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