N-(4-chlorobenzyl)-4-methoxyaniline

Base Information

• Chemical Name: N-(4-chlorobenzyl)-4-methoxyaniline
• CAS No.: 20357-42-0
• Molecular Formula: C14H14ClNO
• Molecular Weight: 247.724
• DSSTox Substance ID: DTXSID90359397
• Nikkaji Number: J904.514G
• Wikidata: Q82140593
• ChEMBL ID: CHEMBL3593637
• Mol file: 20357-42-0.mol

Synonyms:N-(4-chlorobenzyl)-4-methoxyaniline;20357-42-0;N-[(4-chlorophenyl)methyl]-4-methoxyaniline;CHEMBL3593637;Oprea1_431513;SCHEMBL10924995;DTXSID90359397;BDBM50498372;MFCD01427007;STL355866;AKOS000241648;CCG-316084;LS-09589;CS-0328364;AP-970/12076561

Chemical Property of N-(4-chlorobenzyl)-4-methoxyaniline

Chemical Property:

• PSA: 21.26000
• LogP: 4.03370
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 247.0763918
• Heavy Atom Count: 17
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Chlorobenzyl)-4-methoxyaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NCC2=CC=C(C=C2)Cl

Technology Process of N-(4-chlorobenzyl)-4-methoxyaniline

There total 18 articles about N-(4-chlorobenzyl)-4-methoxyaniline 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: 100.0%

4-methoxy-benzylamine (2393-23-9) + sodium (4-chlorophenyl)(hydroxy)methanesulfonate (46175-04-6) → N-(4-chlorobenzyl)-4-methoxyaniline (20357-42-0)

Guidance literature:

With 2-picoline borane complex; In methanol; water; at 60 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.1c02604

Reference yield: 99.0%

N-(4-chlorobenzylidene)-4-methoxyaniline (1749-03-7) → N-(4-chlorobenzyl)-4-methoxyaniline (20357-42-0)

Guidance literature:

With C₂₁H₂₅BrN₂Ru; isopropyl alcohol; potassium hydroxide; for 4h; Reflux; Molecular sieve; Inert atmosphere;

DOI:10.1021/acs.inorgchem.8b02246

Reference yield: 99.0%

4-chlorobenzaldehyde (104-88-1) + 4-methoxy-aniline (104-94-9) → N-(4-chlorobenzyl)-4-methoxyaniline (20357-42-0)

Guidance literature:

With N-1-phenyl-benzotriazole-N-3-borane; In 1,2-dichloro-ethane; at 20 ℃; for 3h;

DOI:10.1039/b915361f

upstream raw materials:

4-methoxy-aniline

(E)-N-(4-chlorobenzylidene)-4-methoxyaniline

4-chlorobenzaldehyde

N-(4-chlorobenzylidene)-4-methoxyaniline

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