3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Ester

Base Information

• Chemical Name: 3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Ester
• CAS No.: 793-19-1
• Molecular Formula: C15H21 N O4
• Molecular Weight: 279.336
• Hs Code.: 2922499990
• European Community (EC) Number: 212-343-5
• NSC Number: 54971
• DSSTox Substance ID: DTXSID30229606
• Nikkaji Number: J31.492G
• Wikidata: Q83109904
• Mol file: 793-19-1.mol

Synonyms:793-19-1;3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Ester;dimethyl 3,3'-(benzylazanediyl)dipropanoate;methyl 3-[benzyl-(3-methoxy-3-oxopropyl)amino]propanoate;dimethyl 3,3' - (benzylazanediyl)dipropanoate;EINECS 212-343-5;Methyl 3-[benzyl-(3-methoxy-3-oxo-propyl)amino]propanoate;Methyl N-benzyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate;NSC54971;dimethyl 3,3'-(benzylazanediyl)dipropionate;DIMETHYL 3,3'-(BENZYLIMINO)DIPROPIONATE;SCHEMBL3258895;DTXSID30229606;dimethyl 3,3'-(benzylimino)dipropanoate (non-preferred name);AB1155;MFCD00025891;NSC 54971;NSC-54971;STL193537;AKOS022060834;DS-7996;SB38799;dimethyl3,3'-(benzylazanediyl)dipropanoate;CS-0138523;FT-0632964;N,N-Di[2-(methoxycarbonyl)ethyl]benzylamine;N,N-bis(beta-methoxy carbonylethyl)benzylamine;3,3'-(Benzylimino)dipropionic acid dimethyl ester;3,3'-Benzyliminobis(propanoic acid methyl) ester;methyl 3-[benzyl(3-methoxy-3-oxopropyl)amino]propanoate;3-(benzyl-(2-methoxycarbonylethyl)amino)propanoic acid methyl ester;3-Benzyl-(2-methoxycarbonyl-ethyl)- amino-propionic acid methyl ester

Chemical Property of 3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Ester

Chemical Property:

• Boiling Point: 372.5 °C at 760 mmHg
• PKA: 5.79±0.50(Predicted)
• Flash Point: 179.1 °C
• PSA: 55.84000
• Density: 1.108 g/cm³
• LogP: 1.61480
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 279.14705815
• Heavy Atom Count: 20
• Complexity: 280

Purity/Quality:

99.9% ^*data from raw suppliers

3-[Benzyl-(2-methoxycarbonylethyl)amino]propionicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCN(CCC(=O)OC)CC1=CC=CC=C1
• Uses: 3-[Benzyl-(2-methoxycarbonylethyl)amino]propionic Acid Methyl Ester is used in preparation of substituted Phenyloxazolidinones as antimicrobial agents for treating antimicrobial.

Technology Process of 3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Ester

There total 10 articles about 3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Ester 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%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + benzylamine (100-46-9) → bis(2-methoxycarbonylethyl)benzylamine (793-19-1)

Guidance literature:

In methanol; at 20 ℃; for 8h; Reflux;

Reference yield: 90.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + benzylamine (100-46-9) → 3-benzylamino-propionic acid methyl ester (23574-01-8) + bis(2-methoxycarbonylethyl)benzylamine (793-19-1)

Guidance literature:

copper; In methanol; at 20 ℃; for 0.3h;

DOI:10.1055/s-2006-949623

Reference yield: 77.0%

Methyl 3-bromopropionate (3395-91-3) + benzylamine hydrobromide (37488-40-7) → 3-benzylamino-propionic acid methyl ester (23574-01-8) + bis(2-methoxycarbonylethyl)benzylamine (793-19-1)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 - 25 ℃; for 16h; chemoselective reaction; Molecular sieve;

DOI:10.1039/c4ra01915f

upstream raw materials:

acrylic acid methyl ester

benzylamine

piperidine

morpholine

Downstream raw materials:

6-benzyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ol

11-benzyl-7-{[4-(trifluoromethyl)phenyl]methyl}-2,5,7,11-tetraazatricyclo[7.4.0.0,^2,6]trideca-1⁽⁹⁾,5-dien-8-one

11-benzyl-7-[(2-methylphenyl)methyl]-2,5,7,11-tetraazatricyclo[7.4.0.0^2,6]trideca-1⁽⁹⁾,5-dien-8-one

Refernces

• 1、 Fang, Yuanying,Xiong, Lijuan,Hu, Jianguo,Zhang, Shaokun,Xie, Saisai,Tu, Liangxing,Wan, Yang,Jin, Yi,Li, Xiang,Hu, Shaojie,Yang, Zunhua. "Synthesis and evaluation of novel fused pyrimidine derivatives as GPR119 agonists". . p. 103 - 111. Retrieved 2019/01/28.
• 2、 Bárány, Péter,Oláh, Rita Szabó,Kovács, Imre,Czuczi, Tamás,Szabó, Csenge Lilla,Takács, Angéla,Lajkó, Eszter,Láng, Orsolya,Ohidai, László K.,Schlosser, Gitta,Osze, Szilvia B.,Mez o, Gábor,Hudecz, Ferenc,Csámpai, Antal. "Ferrocene-containing Impiridone (ONC201) Hybrids: Synthesis, DFT modelling, in vitro evaluation, and structure–activity relationships". . . Retrieved 2018/09/12.