Acide spaglumique

Base Information

Chemical Name:Acide spaglumique
CAS No.:4910-46-7
Molecular Formula:C₁₁H₁₆N₂O₈
Molecular Weight:304.257
Hs Code.:
UNII:X81L78B3RB
DSSTox Substance ID:DTXSID0045385
Nikkaji Number:J8.783A
Wikidata:Q20817261
Metabolomics Workbench ID:151942
ChEMBL ID:CHEMBL2105616
Mol file:4910-46-7.mol

Synonyms:beta-NAAG;N-acetylaspartyl-beta-linked glutamate

Suppliers and Price of Acide spaglumique

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
N-Acetyl-β-Asp-Glu
25mg
$ 251.00

Chem-Impex
Ac-Asp(Glu-OH)-OH,98%(TLC) 98%(TLC)
25MG
$ 95.76

Chem-Impex
Ac-Asp(Glu-OH)-OH,98%(TLC) 98%(TLC)
5MG
$ 31.92

Chem-Impex
Ac-Asp(Glu-OH)-OH,98%(TLC) 98%(TLC)
100MG
$ 281.96

Biosynth Carbosynth
Ac-Asp(Glu-OH)-OH
100 mg
$ 377.00

Biosynth Carbosynth
Ac-Asp(Glu-OH)-OH
500 mg
$ 1315.00

American Custom Chemicals Corporation
AC-BETA-ASP-GLU-OH 95.00%
5MG
$ 497.70

Total 19 raw suppliers

Chemical Property of Acide spaglumique

Chemical Property:

Vapor Pressure:6.21E-26mmHg at 25°C
Boiling Point:769.5°Cat760mmHg
Flash Point:419.1°C
PSA：170.10000
Density:1.472g/cm³
LogP:-0.81820
Storage Temp.:−20°C
XLogP3:-2.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:304.09066547
Heavy Atom Count:21
Complexity:448

Purity/Quality:

98%Min ^*data from raw suppliers

N-Acetyl-β-Asp-Glu ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(=O)NC(CC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O
Isomeric SMILES:CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
Uses neurotransmitter; mGluR3 receptors

Technology Process of Acide spaglumique

There total 6 articles about Acide spaglumique 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: 85.0%

: 104870-30-6
Ac-AspBzl

: 4910-46-7
Spaglumic acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; water; acetic acid;

Reference yield:

: 104840-92-8
α-benzyl ester of N-acetylaspartic adid

: 4910-46-7
Spaglumic acid

Guidance literature:: Multi-step reaction with 3 steps

1: N-methylmorpholine / ethyl acetate / 0.03 h / -15 °C

2: N-methylmorpholine / ethyl acetate; dimethylformamide / 40 min at -15 deg C, then 1 h at 10 deg C

3: 85 percent / hydrogen / Pd/C / ethanol; H₂O; acetic acid

With 4-methyl-morpholine; hydrogen; palladium on activated charcoal; In ethanol; water; acetic acid; ethyl acetate; N,N-dimethyl-formamide;

Reference yield:

: 117833-18-8
N^α-acetyl-L-aspartic acid β-tert-butyl ester

: 4910-46-7
Spaglumic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 43 percent / triethylamine / dimethylformamide / 48 h / 20 °C

2: 72 percent / trifluoroacetic acid / 0.5 h / 20 °C

3: N-methylmorpholine / ethyl acetate / 0.03 h / -15 °C

4: N-methylmorpholine / ethyl acetate; dimethylformamide / 40 min at -15 deg C, then 1 h at 10 deg C

5: 85 percent / hydrogen / Pd/C / ethanol; H₂O; acetic acid

With 4-methyl-morpholine; hydrogen; triethylamine; palladium on activated charcoal; In ethanol; water; acetic acid; ethyl acetate; N,N-dimethyl-formamide; trifluoroacetic acid;