Glycine, N-(1,3-dioxobutyl)-

Base Information

• Chemical Name: Glycine, N-(1,3-dioxobutyl)-
• CAS No.: 3103-38-6
• Molecular Formula: C6H9 N O4
• Molecular Weight: 159.142
• Hs Code.: 2924199090
• European Community (EC) Number: 221-459-5
• DSSTox Substance ID: DTXSID0062846
• Nikkaji Number: J217.272K
• Wikidata: Q81990299
• ChEMBL ID: CHEMBL573193
• Mol file: 3103-38-6.mol

Synonyms:3103-38-6;Glycine, N-(1,3-dioxobutyl)-;N-(Acetoacetyl)glycine;2-(3-Oxobutanamido)acetic acid;2-(3-oxobutanoylamino)acetic acid;Acetoacetamide, N-carboxymethyl-;EINECS 221-459-5;CHEMBL573193;N-(ACETOACETYL)GLYCINE,;C6H9NO4;SCHEMBL1055886;(Acetoacetylamino)acetic acid #;DTXSID0062846;(-)-CAMPHORCARBOXYLICACID;STR00569;BDBM50299132;AKOS010501571;FT-0629262

Chemical Property of Glycine, N-(1,3-dioxobutyl)-

Chemical Property:

• Vapor Pressure: 4.12E-09mmHg at 25°C
• Melting Point: 93-96 °C
• Boiling Point: 443.7°Cat760mmHg
• PKA: 3.32±0.10(Predicted)
• Flash Point: 222.1°C
• PSA: 83.47000
• Density: 1.27g/cm³
• LogP: -0.44280
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 159.05315777
• Heavy Atom Count: 11
• Complexity: 187

Purity/Quality:

98%Min ^*data from raw suppliers

N-(ACETOACETYL)GLYCINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)NCC(=O)O

Technology Process of Glycine, N-(1,3-dioxobutyl)-

There total 3 articles about Glycine, N-(1,3-dioxobutyl)- 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: 78.0%

ethyl-N-(3-oxobutanoyl)glycinate (19206-94-1) → 2-(3-oxobutanamido)acetic acid (3103-38-6)

Guidance literature:

With ethanol; water; sodium hydroxide; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2009.09.005

Reference yield:

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + glycine (56-40-6,18875-39-3,25718-94-9) → 2-(3-oxobutanamido)acetic acid (3103-38-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jm00328a014

Reference yield:

→ 2-(3-oxobutanamido)acetic acid (3103-38-6)

Guidance literature:

Glycin, wss. Py., Diketen, 1) 0-5grad, 2) Erwaermen;

upstream raw materials:

4-methyleneoxetan-2-one

glycine

ethyl-N-(3-oxobutanoyl)glycinate

Downstream raw materials:

3-acetyltetramic acid

Refernces

• 1、 Mecinovic, Jasmin,Loenarz, Christoph,Chowdhury, Rasheduzzaman,Schofield, Christopher J.. "2-Oxoglutarate analogue inhibitors of prolyl hydroxylase domain 2". supporting information; experimental part. p. 6192 - 6195. Retrieved 2010/06/13.
• 2、 -. "Inhibitors of the advanced glycosylation of proteins and methods of use therefor". . . Retrieved 2008/06/13.