Ethyl 2-[3-(aminomethyl)phenyl]acetate

Base Information

• Chemical Name: Ethyl 2-[3-(aminomethyl)phenyl]acetate
• CAS No.: 259818-63-8
• Molecular Formula: C₁₁H₁₅NO₂
• Molecular Weight: 193.246
• DSSTox Substance ID: DTXSID40698889
• Wikidata: Q82629447
• Mol file: 259818-63-8.mol

Synonyms:ethyl 2-[3-(aminomethyl)phenyl]acetate;259818-63-8;(3-Aminomethyl-phenyl)-acetic acid ethyl ester;SCHEMBL5725282;DTXSID40698889;SPKAOLHFGAAPTR-UHFFFAOYSA-N;ethyl [3-(aminomethyl)phenyl]acetate;EN300-4297788;3-AMINOMETHYLPHENYLACETIC ACID ETHYL ESTER;A849725

Chemical Property of Ethyl 2-[3-(aminomethyl)phenyl]acetate

Chemical Property:

• Boiling Point: 295.8±20.0 °C(Predicted)
• PKA: 9.01±0.10(Predicted)
• PSA: 52.32000
• Density: 1.081±0.06 g/cm3(Predicted)
• LogP: 1.95120
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC(=CC=C1)CN

Technology Process of Ethyl 2-[3-(aminomethyl)phenyl]acetate

There total 4 articles about Ethyl 2-[3-(aminomethyl)phenyl]acetate 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%

→ ethyl 2-(3-(aminomethyl)phenyl)acetate (259818-63-8)

Guidance literature:

Reference yield:

ethyl 2-(3-cyanophenyl)acetate (210113-91-0) → ethyl 2-(3-(aminomethyl)phenyl)acetate (259818-63-8)

Guidance literature:

With hydrogenchloride; palladium-carbon; In 1,4-dioxane; ethanol;

Reference yield:

ethyl 2-(3-bromophenyl)acetate (14062-30-7) → ethyl 2-(3-(aminomethyl)phenyl)acetate (259818-63-8)

Guidance literature:

Multi-step reaction with 2 steps

1: nitrogen / Pd(PPh₃)4 / N,N-dimethyl-formamide

2: hydrogenchloride / palladium-carbon / 1,4-dioxane; ethanol

With hydrogenchloride; nitrogen; Pd(PPh₃)4; palladium-carbon; In 1,4-dioxane; ethanol; N,N-dimethyl-formamide;

upstream raw materials:

ethyl 2-(3-cyanophenyl)acetate

3-Bromophenylacetic acid

ethyl 2-(3-bromophenyl)acetate

Downstream raw materials:

2-(3-(aminomethyl)phenyl)ethan-1-ol