4-chloro-N-[(3,4-dimethoxyphenyl)methyl]aniline

Base Information

• Chemical Name: 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]aniline
• CAS No.: 13159-76-7
• Molecular Formula: C₁₅H₁₆ClNO₂
• Molecular Weight: 277.751
• European Community (EC) Number: 653-261-3
• Nikkaji Number: J972.437K
• ChEMBL ID: CHEMBL3594262
• Mol file: 13159-76-7.mol

Synonyms:4-chloro-N-(3,4-dimethoxybenzyl)aniline;CHEMBL3594262;4-chloro-N-[(3,4-dimethoxyphenyl)methyl]aniline;Oprea1_121976;BDBM50498376;STK213760;AKOS000235324;N-(3,4-Dimethoxybenzyl)-4-chloroaniline;AN-465/42191442;N-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)amine;N-(4-CHLOROPHENYL)-3,4-DIMETHOXYBENZYLAMINE

Chemical Property of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]aniline

Chemical Property:

• Melting Point: 124 °C
• Boiling Point: 415.3±35.0 °C(Predicted)
• PKA: 3.35±0.35(Predicted)
• Density: 1.209±0.06 g/cm3(Predicted)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 277.0869564
• Heavy Atom Count: 19
• Complexity: 257

Purity/Quality:

N-(4-CHLOROPHENYL)-3,4-DIMETHOXYBENZYLAMINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CNC2=CC=C(C=C2)Cl)OC

Technology Process of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]aniline

There total 7 articles about 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]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: 75.0%

4-chloro-aniline (106-47-8) + 3,4-dimethoxy-benzaldehyde (120-14-9) → 4-chloro-N-(3,4-dimethoxybenzyl)aniline (13159-76-7)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 6 - 11h; Reflux;

DOI:10.1016/j.bmc.2015.06.014

Reference yield: 65.0%

4-chloro-aniline (106-47-8) + (3,4-dimethoxyphenyl)methanol (93-03-8) → 4-chloro-N-(3,4-dimethoxybenzyl)aniline (13159-76-7)

Guidance literature:

With indium(III) triflate; In water; at 100 ℃; for 7h; chemoselective reaction;

DOI:10.1016/j.tet.2013.07.010

Reference yield:

4-chloro-N-(3,4-dimethoxyphenyl)methylenebenzenamine (38608-18-3) → 4-chloro-N-(3,4-dimethoxybenzyl)aniline (13159-76-7)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; In methanol; water; 50-60 deg C then r.t.;

upstream raw materials:

4-chloro-N-(3,4-dimethoxyphenyl)methylenebenzenamine

4-chloro-aniline

3,4-dimethoxy-benzaldehyde

(3,4-dimethoxyphenyl)methanol

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