N-Benzylglycine ethyl ester

Base Information

• Chemical Name: N-Benzylglycine ethyl ester
• CAS No.: 6436-90-4
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• Hs Code.: 29224999
• European Community (EC) Number: 229-218-6
• DSSTox Substance ID: DTXSID90214578
• Nikkaji Number: J62.853K
• Wikidata: Q72441211
• Mol file: 6436-90-4.mol

Synonyms:N-Benzylglycine ethyl ester;6436-90-4;ethyl 2-(benzylamino)acetate;Ethyl (benzylamino)acetate;Glycine, N-(phenylmethyl)-, ethyl ester;Ethyl N-benzylglycinate;Ethyl N-(phenylmethyl)glycinate;n-benzyl glycine ethyl ester;MFCD00009174;benzylamino-acetic acid ethyl ester;EINECS 229-218-6;AI3-06524;Bzl-Gly-OEt;ethyl benzylglycinate;N-Benzyl-glycine ethyl ester;ethyl JV-benzylglycinate;ethyl N-benzyl-glycinate;Benzylglycine ethyl ester;N-benzylglycine ethylester;benzyl-glycine ethyl ester;ethyl 2-benzylaminoacetate;ethyl-N-(benzyl)glycinate;ethyl2-(benzylamino)acetate;SCHEMBL75205;Ethyl (benzylamino)acetate #;N-(benzyl)glycine ethyl ester;DTXSID90214578;Benzylaminoacetic acid, ethyl ester;N-Benzylglycine ethyl ester, 97%;(Benzylamino)acetic Acid Ethyl Ester;STL363944;AKOS000251246;AM81797;CS-W010686;HY-W009970;PB43214;AC-25476;AS-11901;B2273;FT-0649263;EN300-55386;A929574;W-104846;N-Benzylglycine ethyl ester, purum, >=95.0% (GC);F0001-1742;Z266079588

Chemical Property of N-Benzylglycine ethyl ester

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 0.00464mmHg at 25°C
• Refractive Index: n20/D 1.506(lit.)
• Boiling Point: 277 °C at 760 mmHg
• PKA: 6.84±0.20(Predicted)
• Flash Point: 121.3 °C
• PSA: 38.33000
• Density: 1.049 g/cm³
• LogP: 1.73020
• Storage Temp.: 2-8°C
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

N-Benzyl glycine ethyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C; Xi; Xn
• Hazard Codes: C,Xi,Xn
• Statements: 34-36/37/38-20/21/22
• Safety Statements: 23-24/25-45-36/37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: CCOC(=O)CNCC1=CC=CC=C1
• Uses: N-Benzylglycine ethyl ester is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff field.

Technology Process of N-Benzylglycine ethyl ester

There total 42 articles about N-Benzylglycine 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: 97.7%

ethyl bromoacetate (105-36-2) + benzylamine (100-46-9) → ethyl 2-(benzylamino)acetate (6436-90-4)

Guidance literature:

In tetrahydrofuran; for 2.5h; Ambient temperature;

DOI:10.1002/(SICI)1521-3765(19980807)4:8<1570::AID-CHEM1570>3.0.CO;2-2

Reference yield: 97.0%

GlyOEt*HCl (459-73-4) → ethyl 2-(benzylamino)acetate (6436-90-4)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 0.166667h; Heating;

DOI:10.1016/S0040-4039(00)95769-1

Reference yield: 95.1%

chloroacetic acid ethyl ester (105-39-5) + benzylamine (100-46-9) → ethyl 2-(benzylamino)acetate (6436-90-4)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 3h; Solvent;

upstream raw materials:

ethyl N-benzylideneglycinate

benzaldehyde

GlyOEt*HCl

chloroacetic acid ethyl ester

Downstream raw materials:

benzyliminodiacetic acid diethyl ester

(S)-N-Benzyl-3-tert-butoxycarbonylamino-N-ethoxycarbonylmethyl-succinamic acid tert-butyl ester

2-[(Benzyl-ethoxycarbonylmethyl-amino)-methyl]-benzoic acid ethyl ester

2-Benzylamino-1,1-di-p-tolyl-ethanol

Refernces

• 1、 -. "EIF4E INHIBITORS AND USES THEREOF". Paragraph 00337; 00363; 00373. . Retrieved 2021/09/11.
• 2、 Fasan, Rudi,Sreenilayam, Gopeekrishnan,Steck, Viktoria. "Selective Functionalization of Aliphatic Amines via Myoglobin-Catalyzed Carbene N-H Insertion". . p. 224 - 229. Retrieved 2020/02/15.