1-[4-(3-Methylphenoxy)phenyl]methanamine

Base Information

• Chemical Name: 1-[4-(3-Methylphenoxy)phenyl]methanamine
• CAS No.: 864263-07-0
• Molecular Formula: C14H15NO
• Molecular Weight: 213.279
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID90599150
• Wikidata: Q82495010
• Mol file: 864263-07-0.mol

Synonyms:1-[4-(3-methylphenoxy)phenyl]methanamine;864263-07-0;(4-(m-Tolyloxy)phenyl)methanamine;[4-(3-methylphenoxy)phenyl]methanamine;4-(m-Tolyloxy)benzylamine;SCHEMBL506995;4-(3-methylphenoxy)benzylamine;4-(3-methylphenyloxy)benzylamine;DTXSID90599150;LCTHKXNDILXRIZ-UHFFFAOYSA-N;STK503514;AKOS000218125;SB78814;DA-22675;LS-02104;CS-0322236;G67167

Chemical Property of 1-[4-(3-Methylphenoxy)phenyl]methanamine

Chemical Property:

• Boiling Point: 334.2±30.0 °C(Predicted)
• PKA: 9.19±0.10(Predicted)
• PSA: 35.25000
• Density: 1.086±0.06 g/cm3(Predicted)
• LogP: 3.94630
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 213.115364102
• Heavy Atom Count: 16
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

(4-(m-Tolyloxy)phenyl)methanamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)OC2=CC=C(C=C2)CN

Technology Process of 1-[4-(3-Methylphenoxy)phenyl]methanamine

There total 4 articles about 1-[4-(3-Methylphenoxy)phenyl]methanamine 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: 92.0%

4-(3’-methylphenoxy)benzonitrile (24789-49-9) → 4-(3'-methylphenoxy)benzylamine (864263-07-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 16h;

DOI:10.1016/j.bmc.2015.04.014

Reference yield:

3-methyl-phenol (108-39-4) → 4-(3'-methylphenoxy)benzylamine (864263-07-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 24 h / Reflux

2: lithium aluminium tetrahydride / tetrahydrofuran / 16 h / 0 - 20 °C

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2015.04.014

Reference yield:

4-fluorobenzonitrile (1194-02-1,143234-87-1) → 4-(3'-methylphenoxy)benzylamine (864263-07-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 24 h / Reflux

2: lithium aluminium tetrahydride / tetrahydrofuran / 16 h / 0 - 20 °C

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2015.04.014

upstream raw materials:

4-(3’-methylphenoxy)benzonitrile

4-fluorobenzonitrile

3-methyl-phenol

4-(m-tolyloxy)benzaldehyde

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