N-(4-Aminobenzoyl)-L-glutamic acid

Base Information

• Chemical Name: N-(4-Aminobenzoyl)-L-glutamic acid
• CAS No.: 4271-30-1
• Molecular Formula: C12H14N2O5
• Molecular Weight: 266.254
• Hs Code.: 2924296000
• European Community (EC) Number: 224-261-7
• UNII: 9BKY99A8HJ
• DSSTox Substance ID: DTXSID10873641
• Nikkaji Number: J15.173D
• Wikidata: Q27130821
• Metabolomics Workbench ID: 61468
• ChEMBL ID: CHEMBL3278332
• Mol file: 4271-30-1.mol

Synonyms:4-aminobenzoylglutamic acid;4-aminobenzoylglutamic acid, (D)-isomer;4-aminobenzoylglutamic acid, (L)-isomer ion;glutamyl-p-aminobenzoic acid;N-(4-aminobenzoyl)-L-glutamic acid;N-(P-AMINOBENZOYL)GLUTAMIC ACID;p-aminobenzoylglutamate;p-aminobenzoylglutamic acid;PABGA;para-aminobenzoylglutamic acid

Chemical Property of N-(4-Aminobenzoyl)-L-glutamic acid

Chemical Property:

• Appearance/Colour: Beige crystalline powder
• Vapor Pressure: 1.37E-15mmHg at 25°C
• Melting Point: ~175 °C (dec.)
• Refractive Index: 1.617
• Boiling Point: 607.1 °C at 760 mmHg
• PKA: 3.50±0.10(Predicted)
• Flash Point: 320.9 °C
• PSA: 129.72000
• Density: 1.418 g/cm³
• LogP: 1.28870
• Storage Temp.: −20°C
• Solubility.: Aqueous Base (Sparingly), Aqueous Acid (Sparingly), DMSO (Sparingly), Methanol (
• XLogP3: 0
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 266.09027155
• Heavy Atom Count: 19
• Complexity: 350

Purity/Quality:

99%+ ^*data from raw suppliers

N-(4-Aminobenzoyl)-L-glutamic Acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N
• Isomeric SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
• Uses: Marker in folate metabolism studies. Major metabolite of 5-Methyltetrahydrofolic Acid

Technology Process of N-(4-Aminobenzoyl)-L-glutamic acid

There total 19 articles about N-(4-Aminobenzoyl)-L-glutamic 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: 99.0%

Di-tert-butyl 3-fluoro,4-nitrobenzoyl-L-glutamate → N-(4-aminobenzoyl)-L-glutamic acid (4271-30-1,532-63-8)

Guidance literature:

With ammonium formate; palladium-carbon; In methanol;

Reference yield: 96.58%

p-Nitrobenzoyl-L-(+)-glutamic acid (6758-40-3) → N-(4-aminobenzoyl)-L-glutamic acid (4271-30-1,532-63-8)

Guidance literature:

With palladium 10% on activated carbon; ammonium formate; In methanol; at 20 ℃; for 0.5h; Time; Concentration;

Reference yield: 61.0%

dimethyl p-trifluoroacetamidobenzoyl-L-glutamate (233600-78-7) → N-(4-aminobenzoyl)-L-glutamic acid (4271-30-1,532-63-8)

Guidance literature:

With sodium hydroxide; water; In methanol; at 23 ℃; for 4h;

upstream raw materials:

p-Nitrobenzoyl-L-(+)-glutamic acid

diethyl N-(p-aminobenzoyl)-L-glutamate

dimethyl p-trifluoroacetamidobenzoyl-L-glutamate

(S)-2-(4-(((2-amino-4-hydroxypteridin-6-yl)methyl)amino)benzamido)pentanedioic acid

Downstream raw materials:

N-{4-[(4-amino-2-thioxo-1,2-dihydro-pteridin-6-ylmethyl)-amino]-benzoyl}-L-glutamic acid

N-{4-[(2,4-dioxo-1,2,3,4-tetrahydro-pteridin-6-ylmethyl)-amino]-benzoyl}-L-glutamic acid

folic acid

N-((Ξ)-9-methyl-pteroyl)-L-glutamic acid