3-Aminopentanedioic acid

Base Information

• Chemical Name: 3-Aminopentanedioic acid
• CAS No.: 1948-48-7
• Molecular Formula: C5H9NO4
• Molecular Weight: 147.131
• Hs Code.: 2922499990
• NSC Number: 341646
• UNII: SFG5X9C3DQ
• DSSTox Substance ID: DTXSID30173130
• Nikkaji Number: J80.351K
• Wikidata: Q27103900
• Metabolomics Workbench ID: 51853
• Mol file: 1948-48-7.mol

Synonyms:3-aminoglutarate;3-aminoglutaric acid;3-aminoglutaric acid, sodium salt;beta-aminoglutaric acid;beta-glutamic acid

Chemical Property of 3-Aminopentanedioic acid

Chemical Property:

• Vapor Pressure: 3.4E-05mmHg at 25°C
• Melting Point: 233 °C (decomp)
• Refractive Index: 1.522
• Boiling Point: 329.8 °C at 760 mmHg
• PKA: 3.35±0.10(Predicted)
• Flash Point: 153.3 °C
• PSA: 100.62000
• Density: 1.409 g/cm³
• LogP: -0.03660
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 147.05315777
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

98%,99%, ^*data from raw suppliers

β-Glutamic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(CC(=O)O)N)C(=O)O
• Uses: β-?Glutamic Acid is a serum biomarker for chemoradiosensitivity in esophageal cancer.

Technology Process of 3-Aminopentanedioic acid

There total 12 articles about 3-Aminopentanedioic acid 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: 60.0%

glutaconic acid (1724-02-3) → 3-aminopentanedioic acid (1948-48-7)

Guidance literature:

With ammonia; Heating;

DOI:10.1246/bcsj.62.2748

Reference yield: 32.0%

ammonium hydrogen trans-pent-2-ene-1,5-dioate → 3-aminopentanedioic acid (1948-48-7)

Guidance literature:

at 170 ℃; for 2h; Inert atmosphere;

DOI:10.14233/ajchem.2014.16185

Reference yield:

4-<<(Benzyloxy)carbonyl>methyl>-2-azetidinone (76127-63-4) → 3-aminopentanedioic acid (1948-48-7) + 2-(4-oxoazetidin-2-yl)acetic acid (77960-43-1)

Guidance literature:

With Candida antarctica Lipase A; In aq. phosphate buffer; at 25 ℃; for 1h; pH=7.5; Reagent/catalyst; Time; Enzymatic reaction;

DOI:10.1016/j.bioorg.2019.102975

upstream raw materials:

1,3-diethyl 2-aminoglutarate

β-Acetamino-glutarsaeure-diaethylester

(2,6-Dioxo-tetrahydro-pyran-4-yl)-carbamic acid tert-butyl ester

glutaconic acid

Downstream raw materials:

1,3-diethyl 2-aminoglutarate

diethyl 3-{[2-({[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)-2-oxoethyl]amino}pentanedioate

3-{[2-({[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)-2-oxoethyl]amino}pentanedioic acid trifluoroacetate

diethyl 3-({[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioate

Refernces

• 1、 Munegumi,Qing Meng,Harada. "Polypeptide formation by heating N-t-butyloxycarbonyl acidic amino acid derivatives". . p. 4716 - 4722. Retrieved 2014/12/10.
• 2、 Munegumi, Toratane,Meng, Yan-Quing,Harada, Kaoru. "Thermal Syntheses of Polypeptides from N-Boc-Amino Acid(Aspartic Acid,β-Aminoglutaric Acid) Anhydrides". . p. 1643 - 1646. Retrieved 2007/10/02.