2-Methoxy-5-[(methylamino)methyl]phenol

Base Information

• Chemical Name: 2-Methoxy-5-[(methylamino)methyl]phenol
• CAS No.: 54542-57-3
• Molecular Formula: C9H13NO2
• Molecular Weight: 167.20500
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID50364068
• Wikidata: Q82147831
• Mol file: 54542-57-3.mol

Synonyms:2-methoxy-5-[(methylamino)methyl]phenol;54542-57-3;2-methoxy-5-(methylaminomethyl)phenol;2-Methoxy-5-((methylamino)methyl)phenol;SCHEMBL3568122;DTXSID50364068;2-methoxy-5-methylaminomethyl-phenol;MFCD05859186;STK661453;AKOS000130256;BS-38133;EN300-51883;Z57842333

Chemical Property of 2-Methoxy-5-[(methylamino)methyl]phenol

Chemical Property:

• Vapor Pressure: 0.00246mmHg at 25°C
• Boiling Point: 278.8oC at 760 mmHg
• Flash Point: 122.4oC
• PSA: 41.49000
• Density: 1.089g/cm3
• LogP: 1.51110
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 167.094628657
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxy-5-[(methylamino)methyl]phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=CC(=C(C=C1)OC)O

Technology Process of 2-Methoxy-5-[(methylamino)methyl]phenol

There total 4 articles about 2-Methoxy-5-[(methylamino)methyl]phenol 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: 86.0%

isovanillin (621-59-0) + methylamine hydrochloride (593-51-1) → N-(3-hydroxy-4-methoxy)benzyl-N-methylamine (54542-57-3)

Guidance literature:

With sodium tetrahydroborate;

DOI:10.1248/cpb.33.3107

Reference yield: 75.0%

isovanillin (621-59-0) + methylamine (74-89-5) → N-(3-hydroxy-4-methoxy)benzyl-N-methylamine (54542-57-3)

Guidance literature:

isovanillin; methylamine; In ethanol; water; at 20 ℃; for 0.5h;

With sodium tetrahydroborate; In methanol; at 20 ℃; for 2h;

DOI:10.1021/jm801026e

Reference yield:

4-Methoxy-3-benzyloxy-N-methyl-benzylamin (54542-56-2) → N-(3-hydroxy-4-methoxy)benzyl-N-methylamine (54542-57-3)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1039/jr9630004545

upstream raw materials:

isovanillin

methylamine hydrochloride

4-Methoxy-3-benzyloxy-N-methyl-benzylamin

methylamine

Downstream raw materials:

(4Z)-6-bromo-4-{[(3-hydroxy-4-methoxybenzyl)(methyl)amino]methylene}isoquinoline-1,3(2H,4H)-dione

N-(3-hydroxy-4-methoxybenzyl)-N-methyl-β-hydroxy-α-phenylphenethylamine

1-[(3-Hydroxy-4-methoxy-benzyl)-methyl-amino]-1-phenyl-octan-2-one