Glycine ethyl ester hydrochloride

Base Information

• Chemical Name: Glycine ethyl ester hydrochloride
• CAS No.: 623-33-6
• Deprecated CAS: 69808-67-9,89004-43-3
• Molecular Formula: C4H10ClNO2
• Molecular Weight: 139.582
• Hs Code.: 29224995
• European Community (EC) Number: 210-787-4
• NSC Number: 3044
• DSSTox Substance ID: DTXSID8052300
• Mol file: 623-33-6.mol

Synonyms:ethyl glycinate;glycine ethyl ester;glycine ethyl ester, (aminomethyl)phosphonate (1:1);glycine ethyl ester, 1-(14)C-labeled;glycine ethyl ester, hydrochloride

Chemical Property of Glycine ethyl ester hydrochloride

Chemical Property:

• Appearance/Colour: Crystalline
• Vapor Pressure: 24.7mmHg at 25°C
• Melting Point: 145-146 °C(lit.)
• Boiling Point: 109.5 °C at 760 mmHg
• PKA: pK1:7.66(＋1) (25°C)
• PSA: 52.32000
• Density: 1 g/cm3
• LogP: 1.01050
• Storage Temp.: Store at RT.
• Sensitive.: Hygroscopic
• Solubility.: >1000 g/L (20 °C)
• Water Solubility.: >1000 g/L (20 ºC)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 139.0400063
• Heavy Atom Count: 8
• Complexity: 62.7

Purity/Quality:

98%min ^*data from raw suppliers

Glycine Ethyl Ester Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41-36/37/38
• Safety Statements: 26-39-24/25-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Biological Agents -> Amino Acids and Derivatives
• Canonical SMILES: CCOC(=O)CN.Cl
• Uses: As a Glycine (G615990) ester, Glycine ethyl ester hydrochloride can be used as parakeratosis inhibitor and external composition for skin. Glycine ethyl ester (GEE) is used in conjunction with N-(3-Dimethylaminopropyl)-N?-ethylcarbodiimide (EDC) for carboxyl-foot printing studies of proteins. The GEE/EDC protocol effects specific derivatization of glutamate and aspartate carboxyl side chains on intact proteins. This reaction is readily done under aqueous conditions at physiological pH. It is mainly used as a pharmaceutical raw material. Glycine ethyl ester hydrochloride is an important intermediate for preparing chrysanthemic acid or two chlorine chrysanthemic acid and is mainly used in the synthesis of anti-inflammatory drugs, but also can be used for the synthesis of four imidazole acetic acid.

Technology Process of Glycine ethyl ester hydrochloride

There total 25 articles about Glycine ethyl ester 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: 99.0%

N,N-dibenzylglycine ethyl ester (77385-90-1) → glycine ethyl ester hydrochloride (623-33-6)

Guidance literature:

With 1,1,2-trichloroethane; 10% palladium on activated carbon; hydrogen; In methanol; for 1h; under 760.051 Torr; chemoselective reaction;

DOI:10.1021/jo9007282

Reference yield: 98.0%

ethanol (64-17-5) + glycine (56-40-6,18875-39-3,25718-94-9) → glycine ethyl ester hydrochloride (623-33-6)

Guidance literature:

With thionyl chloride; at 25 - 30 ℃; for 0.583333h; microwave irradiation;

Reference yield: 91.0%

C13H26NO7P (85231-98-7) → glycine ethyl ester hydrochloride (623-33-6)

Guidance literature:

With hydrogenchloride; In benzene; Ambient temperature;

DOI:10.1055/s-1982-29997

upstream raw materials:

ethanol

ethoxycarbonylmethyl-hexamethylenetetraminium; chloride

glycinyl chloride hydrochloride

glycine

Downstream raw materials:

N-[(benzoylamino)acetyl]glycine ethyl ester

N-(ethoxycarbonylmethyl-carbamoyl)-phenylalanine ethyl ester

Glycine ethyl ester isocyanate

ethyl N-formylglycinate

Refernces

• 1、 Moore, Sharon A.,Shuker, David E. G.. "Synthesis of deuterium and C-13-labelled ethyl glycolate and their subsequent use in the synthesis of labelled analogues of the DNA adduct O 6-carboxymethyl-2′-deoxyguanosine". . p. 855 - 858. Retrieved 2011.
• 2、 An, Yunfei,Dong, Yue,Liu, Min,Han, Jun,Zhao, Liyu,Sun, Bin. "Novel naphthylamide derivatives as dual-target antifungal inhibitors: Design, synthesis and biological evaluation". . . Retrieved 2020/11/13.
• 3、 Kantharaju, Kamanna,Khatavi, Santosh Y.. "Eco-friendly synthesis of peptides using fmoc-amino acid chlorides as coupling agent under biphasic condition". . p. 699 - 707. Retrieved 2021/08/23.