Ethyl [(3-methylphenyl)amino]acetate

Base Information

• Chemical Name: Ethyl [(3-methylphenyl)amino]acetate
• CAS No.: 21911-66-0
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• Hs Code.: 2922499990
• NSC Number: 190355
• DSSTox Substance ID: DTXSID80307201
• Nikkaji Number: J3.383.079C
• Wikidata: Q82054570
• Mol file: 21911-66-0.mol

Synonyms:ethyl [(3-methylphenyl)amino]acetate;21911-66-0;ethyl 2-(3-methylanilino)acetate;Ethyl 2-(m-tolylamino)acetate;ethyl N-(3-methylphenyl)glycinate;NSC190355;Ethyl m-tolylglycinate;ethyl 2-[(3-methylphenyl)amino]acetate;ethyl 3-toluidinoacetate;Ethyl2-(m-tolylamino)acetate;SCHEMBL8168563;DTXSID80307201;JZCIUMVCWIEEQX-UHFFFAOYSA-N;m-Tolylaminoacetic acid ethyl ester;m-Tolylamino-acetic acid ethyl ester;MFCD00461414;STK502814;AKOS000253500;NSC-190355;N-[3-Methylphenyl]glycine, ethyl ester;Glycine,N-(3-methylphenyl)-,ethyl ester;LS-01407;BB 0240628;CS-0323982;Ethyl [(3-methylphenyl)amino]acetate (Ph(3-Me)-Gly-OEt)

Chemical Property of Ethyl [(3-methylphenyl)amino]acetate

Chemical Property:

• Vapor Pressure: 0.00175mmHg at 25°C
• Refractive Index: 1.545
• Boiling Point: 293.2 °C at 760 mmHg
• Flash Point: 131.1 °C
• PSA: 38.33000
• Density: 1.084 g/cm³
• LogP: 2.04300
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

98%min ^*data from raw suppliers

ETHYL 3-TOLUIDINOACETATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CNC1=CC=CC(=C1)C

Technology Process of Ethyl [(3-methylphenyl)amino]acetate

There total 5 articles about Ethyl [(3-methylphenyl)amino]acetate 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%

diazoacetic acid ethyl ester (623-73-4) + 1-amino-3-methylbenzene (108-44-1) → N-(3-methylphenyl)glycine ethyl ester (21911-66-0)

Guidance literature:

With sodium dithionite; myoglobin mutant H₆₄V,V₆₈A; In aq. phosphate buffer; pH=8.0; Reagent/catalyst; chemoselective reaction;

DOI:10.1039/c4cc08753d

Reference yield: 99.0%

→ N-(3-methylphenyl)glycine ethyl ester (21911-66-0)

Guidance literature:

With sodium dithionite; pH=8.0;

Reference yield: 94.0%

ethyl bromoacetate (105-36-2) + 1-amino-3-methylbenzene (108-44-1) → N-(3-methylphenyl)glycine ethyl ester (21911-66-0)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; for 24h; Reflux;

upstream raw materials:

diethyl ether

chloroacetic acid ethyl ester

1-amino-3-methylbenzene

ethyl bromoacetate

Downstream raw materials:

ethyl 2-(3-methylphenylamino)-4-oxopentanoate

ethyl 2-(tetrahydrofuran-2-yl)-2-(m-tolylamino)acetate

N-(3-methylphenyl)sydnone

N-(m-methylphenyl)glycine

Refernces

• 1、 Zhou, Cong,Li, Miao,Sun, Jianwei,Cheng, Jiang,Sun, Song. "Photoredox-Catalyzed α-Aminomethyl Carboxylation of Styrenes with Sodium Glycinates: Synthesis of γ-Amino Acids and γ-Lactams". supporting information. p. 2895 - 2899. Retrieved 2021/05/05.
• 2、 -. "FERROCHELATASE INHIBITORS AND METHODS OF USE". Page/Page column 57; 58. . Retrieved 2019/11/19.