Ethyl 4-(benzylamino)butanoate hydrochloride

Base Information

• Chemical Name: Ethyl 4-(benzylamino)butanoate hydrochloride
• CAS No.: 1212-58-4
• Molecular Formula: C13H19NO2.ClH
• Molecular Weight: 257.76
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID30481085
• Mol file: 1212-58-4.mol

Synonyms:1212-58-4;Ethyl 4-(benzylamino)butanoate hydrochloride;Ethyl 4-(benzylamino)butanoate;hydrochloride;DTXSID30481085;Ethyl 4-(benzylamino)butanoate--hydrogen chloride (1/1)

Chemical Property of Ethyl 4-(benzylamino)butanoate hydrochloride

Chemical Property:

• PSA: 38.33000
• LogP: 3.31240
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 257.1182566
• Heavy Atom Count: 17
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCNCC1=CC=CC=C1.Cl

Technology Process of Ethyl 4-(benzylamino)butanoate hydrochloride

There total 1 articles about Ethyl 4-(benzylamino)butanoate hydrochloride 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:

→ 4-(benzylamino)butyric acid ethyl ester hydrochloride (1212-58-4)

Guidance literature:

Saeure X, Aethanol;

Reference yield: 91.7%

4-(benzylamino)butyric acid ethyl ester hydrochloride (1212-58-4) + ethyl bromoacetate (105-36-2) → 4-[benzyl(ethoxycarbonylmethyl)amino]butyric acid ethyl ester (63876-32-4)

Guidance literature:

With sodium carbonate; In tetrahydrofuran; at 70 - 75 ℃; for 4h;

Reference yield: 40.0%

ethyl bromo-<2,2-2H2>acetate (14341-47-0) + 4-(benzylamino)butyric acid ethyl ester hydrochloride (1212-58-4) → ethyl 4-(benzyl(2-ethoxy-2-oxoethyl-1,1-d2)amino)butyrate

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 90 ℃; Inert atmosphere;

Downstream raw materials:

4-[benzyl(ethoxycarbonylmethyl)amino]butyric acid ethyl ester

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