Aceglutamide

Base Information

• Chemical Name: Aceglutamide
• CAS No.: 2490-97-3
• Deprecated CAS: 30703-24-3,7577-60-8,7577-60-8
• Molecular Formula: C7H12N2O4
• Molecular Weight: 188.183
• Hs Code.: 29241990
• European Community (EC) Number: 219-647-7
• NSC Number: 760141
• UNII: 01J18G9G97
• DSSTox Substance ID: DTXSID2048959
• Nikkaji Number: J33.403K
• Wikipedia: Aceglutamide
• NCI Thesaurus Code: C77843
• Metabolomics Workbench ID: 148638
• ChEMBL ID: CHEMBL1234757
• Mol file: 2490-97-3.mol

Synonyms:aceglutamide;aceglutamide, aluminum (3:1) salt;N-acetyl-L-glutamine;N-acetylglutamine

Chemical Property of Aceglutamide

Chemical Property:

• Appearance/Colour: Crystalline
• Vapor Pressure: 3.42E-16mmHg at 25°C
• Melting Point: 206-208 °C
• Refractive Index: -12 ° (C=3, H2O)
• Boiling Point: 604.9 °C at 760 mmHg
• PKA: 3.52±0.10(Predicted)
• Flash Point: 319.6 °C
• PSA: 109.49000
• Density: 1.29 g/cm³
• LogP: -0.06760
• Storage Temp.: 2-8°C
• Water Solubility.: almost transparency
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 188.07970687
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

Nalpha-Acetyl-L-glutamine >99.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC(CCC(=O)N)C(=O)O
• Isomeric SMILES: CC(=O)N[C@@H](CCC(=O)N)C(=O)O
• Uses: nootropic

Technology Process of Aceglutamide

There total 3 articles about Aceglutamide 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%

L-glutamine (56-85-9,26700-71-0) + acetic anhydride (108-24-7) → N-acetyl-L-glutamine (2490-97-3,193158-96-2)

Guidance literature:

In water; for 0.0666667h; Irradiation;

DOI:10.1080/00397919208021300

Reference yield:

N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamine (71989-20-3) + acetic acid (64-19-7,77671-22-8) → N-acetyl-L-glutamine (2490-97-3,193158-96-2)

Guidance literature:

N₂-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamine; With dmap; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Wang resin Inert atmosphere;

acetic acid; With ammonium bicarbonate; In methanol; at 20 ℃; for 3h;

With piperidine; trifluoroacetic acid; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.14233/ajchem.2014.16078

Reference yield:

→ N-acetyl-L-glutamine (2490-97-3,193158-96-2)

Guidance literature:

Glutamin, Ac2O/Eg.;

upstream raw materials:

L-glutamine

acetic anhydride

N₂-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamine

acetic acid

Downstream raw materials:

(S)-2-acetamido-N₁-((R)-1-((2R,4R)-2-(3-azidopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)pentanediamide

(S)-2-acetamido-N₁-((R)-1-((2R,4S)-2-(3-azidopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)pentanediamide

(S)-2-acetamido-N₁-((R)-1-((2S,4R)-2-(3-azidopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)pentanediamide

(S)-2-acetamido-N₁-((R)-1-((2S,4S)-2-(3-azidopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)pentanediamide