4-Methoxy-2,5-dimethylbenzylamine

Base Information

• Chemical Name: 4-Methoxy-2,5-dimethylbenzylamine
• CAS No.: 168405-44-5
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID60695370
• Wikidata: Q82624531
• Mol file: 168405-44-5.mol

Synonyms:4-METHOXY-2,5-DIMETHYLBENZYLAMINE;168405-44-5;(4-methoxy-2,5-dimethylphenyl)methanamine;DTXSID60695370;2,5-Dimethyl-4-methoxybenzylamine;AKOS006285696;1-(4-Methoxy-2,5-dimethylphenyl)methanamine

Chemical Property of 4-Methoxy-2,5-dimethylbenzylamine

Chemical Property:

• PSA: 35.25000
• LogP: 2.47100
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

99%min ^*data from raw suppliers

4-Methoxy-2,5-dimethylbenzylamine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1OC)C)CN

Technology Process of 4-Methoxy-2,5-dimethylbenzylamine

There total 3 articles about 4-Methoxy-2,5-dimethylbenzylamine 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:

4-methoxy-2,5-dimethylbenzonitrile (64400-49-3) → C10H15NO (168405-44-5)

Guidance literature:

With lithium aluminium tetrahydride; In 1,2-dimethoxyethane;

DOI:10.1021/jm9000242

Reference yield:

4-Methoxy-2,5-dimethyl-benzaldehyde oxime (64400-50-6) → C10H15NO (168405-44-5)

Guidance literature:

With hydrogenchloride; zinc; In tetrahydrofuran; at 80 ℃; for 0.5h;

DOI:10.1016/j.bmcl.2016.03.043

Reference yield:

2,5-dimethyl-p-anisaldehyde (6745-75-1) → C10H15NO (168405-44-5)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; pyridine / 12 h

2: zinc; hydrogenchloride / tetrahydrofuran / 0.5 h / 80 °C

With pyridine; hydrogenchloride; hydroxylamine hydrochloride; zinc; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2016.03.043

upstream raw materials:

4-methoxy-2,5-dimethylbenzonitrile

4-Methoxy-2,5-dimethyl-benzaldehyde oxime

2,5-dimethyl-p-anisaldehyde

Refernces

• 1、 Gilligan, Paul J.,He, Liqi,Clarke, Todd,Tivitmahaisoon, Parcharee,Lelas, Snjezana,Li, Yu-Wen,Heman, Karen,Fitzgerald, Lawrence,Miller, Keith,Zhang, Ge,Marshall, Anne,Krause, Carol,McElroy, John,Ward, Kathyrn,Shen, Helen,Wong, Harvey,Grossman, Scott,Nemeth, Gregory,Zaczek, Robert,Arneric, Stephen P.,Hartig, Paul,Robertson, David W.,Trainor, George. "8-(4-Methoxyphenyl)pyrazolo[1,5-a]-1,3,5-triazines: Selective and centrally active corticotropin-releasing factor receptor-1 (CRF1) antagonists". scheme or table. p. 3073 - 3083. Retrieved 2010/01/16.