Ethyl 3-(4-(aminomethyl)phenyl)propanoate

Base Information

• Chemical Name: Ethyl 3-(4-(aminomethyl)phenyl)propanoate
• CAS No.: 93071-68-2
• Molecular Formula: C₁₂H₁₇NO₂
• Molecular Weight: 207.272
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID90604879
• Wikidata: Q82502943
• Mol file: 93071-68-2.mol

Synonyms:93071-68-2;ETHYL 3-(4-(AMINOMETHYL)PHENYL)PROPANOATE;3-(4-AMINOMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER;ethyl 3-[4-(aminomethyl)phenyl]propanoate;Ethyl 3-(4-(aminomethyl)phenyl)propanoatehydrochloride;SCHEMBL6881479;DTXSID90604879;SB40020;Ethyl 3-(4-aminomethyl)phenyl)propanoate;DB-261689;EN300-6747767

Chemical Property of Ethyl 3-(4-(aminomethyl)phenyl)propanoate

Chemical Property:

• PSA: 52.32000
• LogP: 2.34130
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Aminomethyl-phenyl)-propionicacidethylester 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC=C(C=C1)CN

Technology Process of Ethyl 3-(4-(aminomethyl)phenyl)propanoate

There total 2 articles about Ethyl 3-(4-(aminomethyl)phenyl)propanoate 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: 77.0%

→ ethyl 3-[4-(aminomethyl)phenyl]propanoate (93071-68-2)

Guidance literature:

Reference yield:

ethanol (64-17-5) + β-[4-(aminomethyl)-phenyl]-propionic acid hydrochloride → ethyl 3-[4-(aminomethyl)phenyl]propanoate (93071-68-2)

Guidance literature:

Reference yield:

(9H-fluoren-9-yl)-acetic acid (6284-80-6) + ethyl 3-[4-(aminomethyl)phenyl]propanoate (93071-68-2) → 3-{4-[(2-9H-Fluoren-9-yl-acetylamino)-methyl]-phenyl}-propionic acid (65779-51-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) SOCl₂, (ii) /BRN= 2212803/

2: sodium hydroxide / ethanol

With sodium hydroxide; In ethanol;

upstream raw materials:

ethanol

Downstream raw materials:

3-{4-[(2-9H-Fluoren-9-yl-acetylamino)-methyl]-phenyl}-propionic acid ethyl ester

3-{4-[(2-9H-Fluoren-9-yl-acetylamino)-methyl]-phenyl}-propionic acid