N-Phenylglycine ethyl ester

Base Information

• Chemical Name: N-Phenylglycine ethyl ester
• CAS No.: 2216-92-4
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• Hs Code.: 29224985
• European Community (EC) Number: 218-702-2
• UNII: 7XL9T8BK0U
• DSSTox Substance ID: DTXSID0062264
• Nikkaji Number: J136.971G
• Wikidata: Q27268987
• Mol file: 2216-92-4.mol

Synonyms:N-Phenylglycine ethyl ester;2216-92-4;ethyl 2-(phenylamino)acetate;ethyl 2-anilinoacetate;Ethyl phenylglycinate;Ethyl N-phenylglycinate;Glycine, N-phenyl-, ethyl ester;Ethyl anilinoacetate;N-Phenylglycine ethyl;Anilinoacetic Acid Ethyl Ester;MFCD00038315;UNII-7XL9T8BK0U;7XL9T8BK0U;Phenylamino-acetic acid ethyl ester;EINECS 218-702-2;AI3-09020;Ethyl anilinoacetate #;phenylglycine ethyl ester;Ethyl phenylamino-acetate;N-Phenyl-glycinethylester;phenyl glycine ethyl ester;N-phenyl glycine ethyl ester;N-phenylglycine, Ethyl ester;Oprea1_203105;SCHEMBL62893;Glycine,N-phenyl-,ethyl ester;N-(Phenyl)glycine ethyl ester;DTXSID0062264;STK731695;AKOS000252818;AS-5347;n-phenylglycine ethyl ester, AldrichCPR;N-PHENYLGLYCINE ETHYL ESTER [MI];SY049148;BB 0221452;CS-0110084;EU-0051650;FT-0634140;P1781;EN300-49189;W-107497;Q27268987

Chemical Property of N-Phenylglycine ethyl ester

Chemical Property:

• Appearance/Colour: white to light beige crystalline powder
• Vapor Pressure: 0.00549mmHg at 25°C
• Melting Point: 53-56 °C
• Refractive Index: 1.549
• Boiling Point: 274.163 °C at 760 mmHg
• PKA: 1.74±0.50(Predicted)
• Flash Point: 119.61 °C
• PSA: 38.33000
• Density: 1.107 g/cm³
• LogP: 1.73460
• Storage Temp.: 0-6°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

98% ^*data from raw suppliers

N-Phenylglycine ethyl ester ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Phenylglycine ethyl ester

There total 32 articles about N-Phenylglycine ethyl ester 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) + aniline (62-53-3) → N-phenylglycine ethyl ester (2216-92-4)

Guidance literature:

NCPS-Ru; In toluene; at 70 ℃; Conversion of starting material;

Reference yield: 91.0%

diazoacetic acid ethyl ester (623-73-4) + aniline (62-53-3) → N-phenylglycine ethyl ester (2216-92-4) + phenyliminodiacetic acid diethyl ester (55932-12-2)

Guidance literature:

With [1,3-bis(diisopropylphenyl)imidazole-2-ylidene]CuCl; In dichloromethane; at 20 ℃;

DOI:10.1021/ja047284y

Reference yield: 85.0%

chloroacetic acid ethyl ester (105-39-5) + aniline (62-53-3) → N-phenylglycine ethyl ester (2216-92-4)

Guidance literature:

With sodium acetate; In ethanol; at 6 ℃; Heating;

DOI:10.1016/j.saa.2006.06.041

upstream raw materials:

diazoacetic acid ethyl ester

aniline

3-phenyl-oxazolidine-2,5-dione

ethanol

Downstream raw materials:

1-phenyl-3-[2]pyridyl-2-thioxo-imidazolidin-4-one

5-trifluoromethyl-5-hydroxy-4,5-dihydro-1H-1-(phenylaminoacetyl)pyrazole

5-trifluoromethyl-5-hydroxy-4,5-dihydro-3-methyl-1H-1-(phenylaminoacetyl)pyrazole

5-trifluoromethyl-5-hydroxy-4,5-dihydro-3-phenyl-1H-1-(phenylaminoacetyl)pyrazole

Refernces

• 1、 Dunkelmann, Daniel,Hayashi, Takahiro,Hilvert, Donald,Mittl, Peer R. E.,Ota, Yusuke,Pott, Moritz,Tinzl, Matthias. "Noncanonical Heme Ligands Steer Carbene Transfer Reactivity in an Artificial Metalloenzyme**". . p. 15063 - 15068. Retrieved 2021.
• 2、 Cao, Hou-Ji,Zhao, Qianyi,Zhang, Qian-Fan,Li, Jiaxuan,Hamilton, Ewan J. M.,Zhang, Jie,Wang, Lai-Sheng,Chen, Xuenian. "Catalyst design based on agostic interactions: Synthesis, characterization, and catalytic activity of bis(pyrazolyl)borate copper complexes". . p. 10194 - 10199. Retrieved 2016.
• 3、 Sreenilayam, Gopeekrishnan,Moore, Eric J.,Steck, Viktoria,Fasan, Rudi. "Metal Substitution Modulates the Reactivity and Extends the Reaction Scope of Myoglobin Carbene Transfer Catalysts". . p. 2076 - 2089. Retrieved 2017.
• 4、 Cailler, Lucie P.,Kroitor, Andrey P.,Martynov, Alexander G.,Gorbunova, Yulia G.,Sorokin, Alexander B.. "Selective carbene transfer to amines and olefins catalyzed by ruthenium phthalocyanine complexes with donor substituents". supporting information. p. 2023 - 2031. Retrieved 2021/02/26.