Glycine, N-(ethoxycarbonyl)-

Base Information

• Chemical Name: Glycine, N-(ethoxycarbonyl)-
• CAS No.: 4596-51-4
• Molecular Formula: C5H9NO4
• Molecular Weight: 147.131
• NSC Number: 75808
• DSSTox Substance ID: DTXSID30196667
• Nikkaji Number: J2.018.360H
• Wikidata: Q83069692
• Mol file: 4596-51-4.mol

Synonyms:4596-51-4;Glycine, N-(ethoxycarbonyl)-;2-[(ETHOXYCARBONYL)AMINO]ACETIC ACID;(Ethoxycarbonyl)glycine;2-(ethoxycarbonylamino)acetic acid;N-Carbethoxyglycine;2-(Ethoxycarbonylamino)ethanoic acid;[(ethoxycarbonyl)amino]acetic acid;Glycine, N-carboxy-, N-ethyl ester;NSC 75808;N-ethoxycarbonylglycine;Glycine, N-ethyl ester;AI3-52082;N-ethoxycar-bonyl-glycine;Glycine, N-carboxy-, N-ethyl ester (8CI);N-alpha-Ethoxycarbonyl-glycine;SCHEMBL1912605;DTXSID30196667;RTVSUZHDJGUDGX-UHFFFAOYSA-N;NSC75808;NSC-75808;AKOS000155791;CS-16831;2-[(ETHOXYCARBONYL)AMINO]ACETICACID;CS-0106586;EN300-36390;D76651;Z64434253

Chemical Property of Glycine, N-(ethoxycarbonyl)-

Chemical Property:

• Vapor Pressure: 9.34E-05mmHg at 25°C
• Boiling Point: 315.5°C at 760 mmHg
• Flash Point: 144.6°C
• Density: 1.246g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 147.05315777
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NCC(=O)O

Technology Process of Glycine, N-(ethoxycarbonyl)-

There total 7 articles about Glycine, N-(ethoxycarbonyl)- 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: 70.0%

chloroformic acid ethyl ester (541-41-3) + glycine (56-40-6,18875-39-3,25718-94-9) → N-(ethoxycarbonyl)glycine (4596-51-4)

Guidance literature:

With sodium hydroxide; at 0 ℃; for 3h;

DOI:10.1039/b110243e

Reference yield:

glycine ethyl ester hydrochloride (5680-79-5,883886-67-7) + chloroformic acid ethyl ester (541-41-3) → N-(ethoxycarbonyl)glycine (4596-51-4)

Guidance literature:

glycine ethyl ester hydrochloride; chloroformic acid ethyl ester; With sodium hydroxide; In 1,4-dioxane; water; at 20 ℃; for 16h; Inert atmosphere;

With methanol; sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b02543

Reference yield:

chloroformic acid ethyl ester (541-41-3) → N-(ethoxycarbonyl)glycine (4596-51-4)

Guidance literature:

With sodium hydroxide; und Verseifen des erhaltenen Esters durch Eindampfen mit konz. Salzsaeure;

upstream raw materials:

chloroformic acid ethyl ester

glycine

hydrogenchloride

N-ethoxycarbonyl-glycine amide

Downstream raw materials:

N-(ethoxycarbonyl)-α-amino methyl carboxylic ester

4-oxo-2-thioxo-imidazolidine-1-carboxylic acid ethyl ester

1,3-oxazolidine-2,5-dione

N-Aethoxycarbonyl-glycin-N-carboxyanhydrid

Refernces

• 1、 Glaisyer, Elizabeth L.,Watt, Michael S.,Booker-Milburn, Kevin I.. "Pd(II)-Catalyzed [4 + 2] Heterocyclization Sequence for Polyheterocycle Generation". supporting information. p. 5877 - 5880. Retrieved 2018/09/25.
• 2、 -. "SANTACRUZAMATE A COMPOSITIONS AND ANALOGS AND METHODS OF USE". Page/Page column 63. . Retrieved 2014/02/16.