Diethyl N-[4-(methylamino)benzoyl]-L-glutamate

Base Information

• Chemical Name: Diethyl N-[4-(methylamino)benzoyl]-L-glutamate
• CAS No.: 2378-95-2
• Molecular Formula: C17H24 N2 O5
• Molecular Weight: 336.388
• Hs Code.: 2924299090
• European Community (EC) Number: 219-161-5
• DSSTox Substance ID: DTXSID20883832
• Nikkaji Number: J213.240K
• Wikidata: Q76005932
• ChEMBL ID: CHEMBL4974505
• Mol file: 2378-95-2.mol

Synonyms:2378-95-2;(S)-Diethyl 2-(4-(methylamino)benzamido)pentanedioate;Diethyl N-[4-(methylamino)benzoyl]-L-glutamate;diethyl (2S)-2-[[4-(methylamino)benzoyl]amino]pentanedioate;Diethyl N-(4-(methylamino)benzoyl)-L-glutamate;EINECS 219-161-5;NSC 121189;N-(4-N-Methylaminobenzoyl)-L-glutamic acid diethyl ester;Diethyl N-(p-N-methylaminobenzoyl)glutamate;EC 219-161-5;N-(p-Methylaminobenzoyl)glutamic acid diethyl ester;DIETHYL N-(4-METHYLAMINOBENZOYL)-L-GLUTAMATE;L-Glutamic acid, N-(4-(methylamino)benzoyl)-, diethyl ester;L-Glutamic acid, N-[4-(methylamino)benzoyl]-, diethyl ester;Glutamic acid, N-(p-(methylamino)benzoyl)-, diethyl ester, L-;L-Glutamic acid, N-(4-(methylamino)benzoyl)-, 1,5-diethyl ester;L-Glutamic acid, N-[4-(methylamino)benzoyl]-, 1,5-diethyl ester;SCHEMBL6648903;CHEMBL4974505;DTXSID20883832;AMY40386;CAA37895;MFCD00136328;diethyl p-(methyl)aminobenzoylglutamate;BS-16228;CS-0151613;diethyl N-(p-methylaminobenzoyl)-L-glutamate;diethyl (4-(methylamino)benzoyl)-L-glutamate;D81869;diethyl N-[4-(N-methylamino)-benzoyl]glutamate;A855112;N-(4-Methylaminobenzoyl)-L-Glutamic Acid Diethyl ester;N-[4-(Methylamino)benzoyl]-L-glutamic acid diethyl ester;1,5-DIETHYL (2S)-2-{[4-(METHYLAMINO)PHENYL]FORMAMIDO}PENTANEDIOATE

Chemical Property of Diethyl N-[4-(methylamino)benzoyl]-L-glutamate

Chemical Property:

• Vapor Pressure: 7.61E-11mmHg at 25°C
• Melting Point: 88-89 °C
• Boiling Point: 518.3°Cat760mmHg
• PKA: 14.01±0.46(Predicted)
• Flash Point: 267.2°C
• PSA: 93.73000
• Density: 1.165g/cm³
• LogP: 2.19700
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 336.16852187
• Heavy Atom Count: 24
• Complexity: 419

Purity/Quality:

99% ^*data from raw suppliers

(S)-Diethyl2-(4-(methylamino)benzamido)pentanedioate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC
• Isomeric SMILES: CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC
• Use Description: Diethyl N-[4-(methylamino)benzoyl]-L-glutamate is a chemical compound with diverse applications in various fields. In the pharmaceutical industry, it plays a crucial role as a synthetic intermediate in the development of medications and pharmaceutical compounds, particularly those involved in the treatment of neurological and psychiatric disorders. Its unique chemical structure makes it valuable for designing and synthesizing drug candidates with potential therapeutic effects. In analytical chemistry, diethyl N-[4-(methylamino)benzoyl]-L-glutamate can be utilized as a reference standard for the identification and quantification of related substances in drug formulations, ensuring quality control and regulatory compliance. Additionally, in academic research, it serves as a building block for the creation of complex molecules, contributing to studies in organic chemistry and chemical biology. Its multifunctional properties make it a significant compound for advancing drug discovery, analytical methods, and chemical research across these industries.

Technology Process of Diethyl N-[4-(methylamino)benzoyl]-L-glutamate

There total 7 articles about Diethyl N-[4-(methylamino)benzoyl]-L-glutamate 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: 80.0%

diethyl N--L-glutamate (115827-03-7) → diethyl N-<4-(methylamino)benzoyl>-L-glutamate (2378-95-2)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; for 3h; under 2482.3 Torr;

DOI:10.1021/jm00119a012

Reference yield: 23.0%

diethyl N-(p-aminobenzoyl)-L-glutamate (13726-52-8) + methyl iodide (74-88-4) → diethyl N-<4-(methylamino)benzoyl>-L-glutamate (2378-95-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 26h;

DOI:10.1021/jm00124a018

Reference yield:

diethyl N-(p-aminobenzoyl)-L-glutamate (13726-52-8) → diethyl N-<4-(methylamino)benzoyl>-L-glutamate (2378-95-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 94 percent / sodium cyanoborohydride, bromocresol green, acetic acid / ethanol / 48 h / Ambient temperature

2: 91 percent / sodium cyanoborohydride, bromocresol green, aq. acetic acid / acetonitrile / 1 h / Ambient temperature

3: 80 percent / hydrogen, HCl / palladium on carbon / ethanol / 3 h / 2482.3 Torr

With hydrogenchloride; hydrogen; bromocresol green; sodium cyanoborohydride; acetic acid; palladium on activated charcoal; In ethanol; acetonitrile;

DOI:10.1021/jm00119a012

upstream raw materials:

N-(4-iodo-benzoyl)L-glutamic acid

methylamine

diethyl N--L-glutamate

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

Downstream raw materials:

diethyl N-<4-benzoyl>-L-glutamate

(S)-2-{4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid diethyl ester

N-(4-(N-((3,4-dihydro-4-oxo-6-quinazolinyl)methyl) methylamino)benzoyl)-L-glutamic acid

diethyl N-<4-ethyl>-N-methylamino>benzoyl>-L-glutamate

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