3-(2-Aminoethoxy)-5-methoxyphenol

Base Information

• Chemical Name: 3-(2-Aminoethoxy)-5-methoxyphenol
• CAS No.: 1076198-81-6
• Molecular Formula: C9H13NO3
• Molecular Weight: 183.20
• DSSTox Substance ID: DTXSID00696548
• Wikidata: Q82626189
• Mol file: 1076198-81-6.mol

Synonyms:3-(2-Aminoethoxy)-5-methoxyphenol;1076198-81-6;5-(2-AMINOETHOXY)-3-METHOXYPHENOL;5- (2-AMINOETHOXY)-3-METHOXYPHENOL;DTXSID00696548;AKOS006327728;FT-0661785

Chemical Property of 3-(2-Aminoethoxy)-5-methoxyphenol

Chemical Property:

• Appearance/Colour: Light Yellow Solid
• Boiling Point: 349.2 °C at 760 mmHg
• PKA: 10.04±0.18(Predicted)
• Flash Point: 165 °C
• PSA: 64.71000
• Density: 1.173 g/cm³
• LogP: 1.43860
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 183.08954328
• Heavy Atom Count: 13
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

5-(2-Aminoethoxy)-3-methoxyphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)O)OCCN
• Uses: 5-(2-Aminoethoxy)-3-methoxyphenol is used in the synthesis of active metabolites of Carvedilol, an antihypertensive drug: 4'-Hydroxycarvedilol (H949120) and 5'-Hydroxycarvedilol (H949125).

Technology Process of 3-(2-Aminoethoxy)-5-methoxyphenol

There total 3 articles about 3-(2-Aminoethoxy)-5-methoxyphenol 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:

3-(2-bromoethoxy)-4-methoxyphenol (1262778-72-2) → C9H13NO3 (1076198-81-6)

Guidance literature:

With ammonium hydroxide; In water; at 65 ℃; for 4h;

DOI:10.1016/j.bmcl.2015.11.008

Reference yield:

isovanillin (621-59-0) → C9H13NO3 (1076198-81-6)

Guidance literature:

Multi-step reaction with 4 steps

2: oxidation agent

3: hydrolysis agent

4: ammonium hydroxide / water / 4 h / 65 °C

With ammonium hydroxide; In water; 2: |Baeyer-Villiger Ketone Oxidation;

DOI:10.1016/j.bmcl.2015.11.008

Reference yield:

3-(2-bromoethoxy)-4-methoxy benzaldehyde (219685-46-8) → C9H13NO3 (1076198-81-6)

Guidance literature:

Multi-step reaction with 3 steps

1: oxidation agent

2: hydrolysis agent

3: ammonium hydroxide / water / 4 h / 65 °C

With ammonium hydroxide; In water; 1: |Baeyer-Villiger Ketone Oxidation;

DOI:10.1016/j.bmcl.2015.11.008

upstream raw materials:

isovanillin

3-(2-bromoethoxy)-4-methoxy benzaldehyde

3-(2-bromoethoxy)-4-methoxyphenol