2-(3-Isopropoxyphenyl)ethylamine

Base Information

• Chemical Name: 2-(3-Isopropoxyphenyl)ethylamine
• CAS No.: 149489-17-8
• Molecular Formula: C₁₁H₁₇NO
• Molecular Weight: 179.262
• DSSTox Substance ID: DTXSID40401658
• Wikidata: Q82204866
• Mol file: 149489-17-8.mol

Synonyms:149489-17-8;2-(3-isopropoxyphenyl)ethylamine;2-(3-propan-2-yloxyphenyl)ethanamine;2-(3-isopropoxyphenyl)ethanamine;SCHEMBL6963018;DTXSID40401658;JSECYUMSFUEJPJ-UHFFFAOYSA-N;AKOS005110164;MS-3556;NCGC00325998-01;2-[3-(propan-2-yloxy)phenyl]ethan-1-amine;AB01321172-02;2-(3-isopropoxyphenyl)ethanamine(SALTDATA: HCl);AN-329/43449454

Chemical Property of 2-(3-Isopropoxyphenyl)ethylamine

Chemical Property:

• PSA: 35.25000
• LogP: 2.67530
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.131014166
• Heavy Atom Count: 13
• Complexity: 136

Purity/Quality:

98% ^*data from raw suppliers

2-(3-isopropoxyphenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=CC(=C1)CCN

Technology Process of 2-(3-Isopropoxyphenyl)ethylamine

There total 3 articles about 2-(3-Isopropoxyphenyl)ethylamine 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:

1-Isopropoxy-3-((E)-2-nitro-vinyl)-benzene → 2-(3-isopropoxyphenyl)ethylamine (149489-17-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jm00025a010

Reference yield:

3-isopropoxybenzaldehyde (75792-33-5) → N-(2-(3-Isopropoxy)phenethyl)-N'-(2-thiazolyl)thiourea + 2-(3-isopropoxyphenyl)ethylamine (149489-17-8)

Guidance literature:

Reference yield:

→ 2-(3-isopropoxyphenyl)ethylamine (149489-17-8)

Guidance literature:

upstream raw materials:

3-isopropoxybenzaldehyde

Downstream raw materials:

1-[2-(3-Isopropoxy-phenyl)-ethyl]-3-thiazol-2-yl-thiourea

Refernces

• 1、 Bell,Cantrell,Hogberg,Jaskunas,Johansson,Jordan,Kinnick,Lind,Morin Jr.,Noreen,Oberg,Palkowitz,Parrish,Pranc,Sahlberg,Ternansky,Vasileff,Vrang,West,et al.. "Phenethylthiazolethiourea (PETT) compounds, a new class of HIV-1 reverse transcriptase inhibitors. 1. Synthesis and basic structure-activity relationship studies of PETT analogs". . p. 4929 - 4936. Retrieved 2007/10/03.