[4-(4-Methoxyphenyl)oxan-4-yl]methanamine

Base Information

• Chemical Name: [4-(4-Methoxyphenyl)oxan-4-yl]methanamine
• CAS No.: 440087-51-4
• Molecular Formula: C13H19NO2
• Molecular Weight: 221.299
• Hs Code.: 2932999099
• European Community (EC) Number: 889-767-8
• DSSTox Substance ID: DTXSID90359019
• Wikidata: Q82139998
• Mol file: 440087-51-4.mol

Synonyms:440087-51-4;(4-(4-Methoxyphenyl)tetrahydro-2H-pyran-4-yl)methanamine;[4-(4-methoxyphenyl)oxan-4-yl]methanamine;{[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}amine;1-[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methanamine;Oprea1_398282;F2189-0454;SCHEMBL2489568;DTXSID90359019;CICNVPXSEFWGBP-UHFFFAOYSA-N;C-[4-(4-Methoxy-phenyl)-tetrahydro-pyran-4-yl]-methylamine;HMS1692L22;MFCD03447533;STK802109;AKOS000112536;AB15451;AS-70621;CS-0038303;EN300-54316;W11343;1-[4-(4-METHOXYPHENYL)OXAN-4-YL]METHANAMINE;BRD-K70332489-001-01-5;Z361883868;[4-(4-methoxyphenyl)tetrahydro-2h-pyran-4-yl]methylamine;{[4-(4-methoxyphenyl)-tetrahydro-2H-pyran-4-yl]methyl}amine

Chemical Property of [4-(4-Methoxyphenyl)oxan-4-yl]methanamine

Chemical Property:

• PSA: 44.48000
• LogP: 2.40240
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 221.141578849
• Heavy Atom Count: 16
• Complexity: 206

Purity/Quality:

98%Min ^*data from raw suppliers

(4-(4-Methoxyphenyl)tetrahydro-2H-pyran-4-yl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2(CCOCC2)CN

Technology Process of [4-(4-Methoxyphenyl)oxan-4-yl]methanamine

There total 2 articles about [4-(4-Methoxyphenyl)oxan-4-yl]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: 100.0%

4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile (3648-78-0) → 1-[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]-methylamine (440087-51-4)

Guidance literature:

4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 0.416667h;

With sodium hydroxide; water; In tetrahydrofuran;

Reference yield:

p-methoxybenzylnitrile (104-47-2) → 1-[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]-methylamine (440087-51-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide / N,N-dimethyl-formamide / 0.5 h

1.2: 5 h / 80 - 100 °C

2.1: lithium aluminium tetrahydride

With lithium aluminium tetrahydride; sodium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1134/S1070363215050096

Reference yield: 84.0%

1-[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]-methylamine (440087-51-4) + oxalic acid diethyl ester (95-92-1) → ethyl 2-({[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}amino)-2-oxoacetate

Guidance literature:

In chloroform; for 10h; Reflux;

DOI:10.1134/S1070428018060106

upstream raw materials:

4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile

p-methoxybenzylnitrile

Downstream raw materials:

{[4-(4-methoxyphenyl)-tetrahydro-2H-pyran-4-yl]methyl}dimethylamine

N-(4-((tetrahydro-4-(4-methoxyphenyl)-2H-pyran-4-yl)methylcarbamoyl)phenyl)-5-methylfuran-2-carboxamide

N-(4-((tetrahydro-4-(4-methoxyphenyl)-2H-pyran-4-yl)methylcarbamoyl)-3-chlorophenyl)furan-2-carboxamide

N-{4-[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-ylmethylcarbamoyl]phenyl}furan-2-carboxamide

Refernces

• 1、 Agekyan,Mkryan. "Synthesis of p-aminobenzoic acid diamides based on 4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carboxylic acid and [4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methylamine". . p. 1057 - 1062. Retrieved 2015/06/25.