4-(2-Aminopropyl)-2-methoxyphenol

Base Information

• Chemical Name: 4-(2-Aminopropyl)-2-methoxyphenol
• CAS No.: 13026-44-3
• Molecular Formula: C10H15 N O2
• Molecular Weight: 181.235
• UNII: UW5V6G007J
• DSSTox Substance ID: DTXSID30926648
• Nikkaji Number: J358.840H
• Wikidata: Q27291302
• ChEMBL ID: CHEMBL1347
• Mol file: 13026-44-3.mol

Synonyms:3-O-methyl-alpha-methyldopamine;3-O-methyl-alpha-methyldopamine hydrochloride;3-O-methyl-alpha-methyldopamine hydrochloride, (+-)-isomer;3-O-methyl-alpha-methyldopamine, (+-)-isomer;4-(2-aminopropyl)-2-methoxyphenol;4-hydroxy-3-methoxyamphetamine

Chemical Property of 4-(2-Aminopropyl)-2-methoxyphenol

Chemical Property:

• Vapor Pressure: 0.000321mmHg at 25°C
• Boiling Point: 310.8°Cat760mmHg
• Flash Point: 141.8°C
• PSA: 55.48000
• Density: 1.096g/cm³
• LogP: 1.99080
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 181.110278721
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

99%min ^*data from raw suppliers

4-(2-AMINOPROPYL)-2-METHOXYPHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC(=C(C=C1)O)OC)N

Technology Process of 4-(2-Aminopropyl)-2-methoxyphenol

There total 5 articles about 4-(2-Aminopropyl)-2-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: 88.0%

1-(4-hydroxy-3-methoxyphenyl)2-propanone (2503-46-0) → 4-hydroxy-3-methoxyamphetamine (13026-44-3)

Guidance literature:

With nickel(II) tetrafluoroborate hexahydrate; ammonia; hydrogen; bis(2-diphenylphosphinoethyl)phenylphosphine; In 2,2,2-trifluoroethanol; at 120 ℃; for 24h; chemoselective reaction;

DOI:10.1039/d0sc01084g

Reference yield:

4-allylguaiacol (97-53-0) → 4-hydroxy-3-methoxyamphetamine (13026-44-3)

Guidance literature:

Multi-step reaction with 2 steps

1: HBr / 0 °C / anschliessendes Behandeln mit wss. HBr

2: ethanolic ammonia / Einheitlichkeit fraglich

With ammonia; hydrogen bromide;

DOI:10.1039/jr9450000533

Reference yield:

4-(2-bromo-propyl)-2-methoxy-phenol (408325-58-6) → 4-hydroxy-3-methoxyamphetamine (13026-44-3)

Guidance literature:

With ammonia; Einheitlichkeit fraglich;

DOI:10.1039/jr9450000533

upstream raw materials:

4-allylguaiacol

4-(2-bromo-propyl)-2-methoxy-phenol

1-(4-hydroxy-3-methoxyphenyl)2-propanone

Downstream raw materials:

N-(1-(4-hydroxy-3-methoxyphenyl)propan-2-yl)arachidonamide

N-(1-(4-hydroxy-3-methoxyphenyl)propan-2-yl)oleamide

1-acetoxy-4-(2-acetylamino-propyl)-2-methoxy-benzene

Refernces

• 1、 González-Martínez, Daniel,Gotor, Vicente,Gotor-Fernández, Vicente. "Stereoselective Synthesis of 1-Arylpropan-2-amines from Allylbenzenes through a Wacker-Tsuji Oxidation-Biotransamination Sequential Process". . p. 2582 - 2593. Retrieved 2019/05/15.
• 2、 Colombini,Burger. "1-(4-Dimethylaminoethoxy-3-methoxyphenyl)-2-aminoalkanes.". . p. 692 - 693. Retrieved 2007/10/06.