Ethyl 3-dimethylaminopropionate

Base Information

• Chemical Name: Ethyl 3-dimethylaminopropionate
• CAS No.: 20120-21-2
• Molecular Formula: C7H15NO2
• Molecular Weight: 145.202
• Hs Code.: 2922499990
• European Community (EC) Number: 243-524-7
• NSC Number: 73176
• DSSTox Substance ID: DTXSID60902738
• Nikkaji Number: J267.188C
• Mol file: 20120-21-2.mol

Synonyms:20120-21-2;ETHYL 3-DIMETHYLAMINOPROPIONATE;ethyl 3-(dimethylamino)propanoate;Ethyl 3-(dimethylamino)propionate;N,N-Dimethyl-beta-alanine ethyl ester;Ethyl 3-(N,N-Dimethylamino)propionate;beta-Alanine, N,N-dimethyl-, ethyl ester;Ethyl N,N-dimethyl-beta-alaninate;Ethyl beta-(dimethylamino)propionate;EINECS 243-524-7;BRN 1702477;NoName_3290;NCIOpen2_000519;SCHEMBL3903055;DTXSID60902738;NSC73176;AC-415;MFCD00015166;NSC 73176;NSC-73176;AKOS000120489;ethyl-3-(N,N-dimethylamino)propionate;BS-42159;LS-16073;EN300-20258;F82686;Z104477518

Chemical Property of Ethyl 3-dimethylaminopropionate

Chemical Property:

• Vapor Pressure: 0.148mmHg at 25°C
• Refractive Index: 1.4190
• Boiling Point: 172.4 °C at 760 mmHg
• PKA: 8.83±0.28(Predicted)
• Flash Point: 58.8 °C
• PSA: 29.54000
• Density: 0.937 g/cm³
• LogP: 0.50120
• Water Solubility.: Immiscible with water.
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 102

Purity/Quality:

98%min ^*data from raw suppliers

ethyl3-(dimethylamino)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38-10
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCN(C)C
• Uses: Ethyl 3-dimethylaminopropionate is used in the preparation of [3-(dimethylamino)propionyl]guanidine.

Technology Process of Ethyl 3-dimethylaminopropionate

There total 10 articles about Ethyl 3-dimethylaminopropionate 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: 97.0%

dimethyl amine (124-40-3) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 3-(N,N-dimethylamino)propionate (20120-21-2)

Guidance literature:

With poly((2-methyl-5-sulfonylphenyl)methyl); at 25 ℃; for 0.0833333h; chemoselective reaction;

DOI:10.1134/S0023158410020096

Reference yield: 93.0%

2-methylenebutyric acid (3586-58-1,62607-09-4) + dimethyl amine (124-40-3) → ethyl 3-(N,N-dimethylamino)propionate (20120-21-2)

Guidance literature:

With 4-tert-Butylcatechol; at 0 - 40 ℃; for 3h; Temperature; Reagent/catalyst; Autoclave;

Reference yield: 71.0%

N-(butoxymethyl)dimethylamine (56275-84-4) + 1-Ethoxy-1-trimethylsilyloxy-1-buten (65946-52-3) → chloro-trimethyl-silane (75-77-4) + ethyl 3-(N,N-dimethylamino)propionate (20120-21-2)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1246/cl.1983.405

upstream raw materials:

formaldehyd

dimethyl amine

1-ethoxyacetylene

ethyl acrylate

Downstream raw materials:

3-dimethylamino-1,1-diphenyl-propan-1-ol

methyl 2-(dimethylamino)propanoate ?

1-(Dimethylaminoethyl)-cyclohexanol-⁽¹⁾

3-(dimethylamino)propanehydrazide