(S)-Ethyl 2-amino-2-phenylacetate hydrochloride

Base Information

• Chemical Name: (S)-Ethyl 2-amino-2-phenylacetate hydrochloride
• CAS No.: 59410-82-1
• Molecular Formula: C10H13 N O2 . Cl H
• Molecular Weight: 215.68
• Hs Code.: 2922499990
• UNII: D5JM6GAX6M
• DSSTox Substance ID: DTXSID40499797
• Mol file: 59410-82-1.mol

Synonyms:59410-82-1;H-Phg-OEt.HCl;H-Phg-OEt HCl;(S)-Ethyl 2-amino-2-phenylacetate hydrochloride;(S)-Ethyl 2-amino-2-phenylacetate HCl;L-Phenylglycine Ethyl Ester Hydrochloride;Ethyl (S)-2-amino-2-phenylacetate hydrochloride;ethyl (2S)-2-amino-2-phenylacetate;hydrochloride;MFCD02259533;H-Phg-OEt hydrochloride;D5JM6GAX6M;DL-alpha-Phenylglycine ethyl ester hydrochloride;SCHEMBL1851016;DTXSID40499797;AKOS015933063;DS-6748;Ethyl phenylglycinate hydrochloride, L-;(s)-phenylglycine ethyl ester hydrochloride;Phenylglycine ethyl ester hydrochloride, L-;CS-0097338;EN300-7361084;A869205;ethyl (2S)-2-amino-2-phenylethanoate hydrochloride;ETHYL (2S)-2-AMINO-2-PHENYLACETATE HYDROCHLORIDE;(S)-Ethyl 2-amino-2-phenylacetate HCl (H-L-Phg-OEt.HCl);Ethyl (2S)-amino(phenyl)acetate--hydrogen chloride (1/1);Benzeneacetic acid, alpha-amino-, ethyl ester, hydrochloride, (S)-;Benzeneacetic acid, alpha-amino-, ethyl ester, hydrochloride (1:1), (alphaS)-

Chemical Property of (S)-Ethyl 2-amino-2-phenylacetate hydrochloride

Chemical Property:

• Vapor Pressure: 0.0149mmHg at 25°C
• Melting Point: 202-204 °C
• PSA: 52.32000
• LogP: 2.75180
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 215.0713064
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

L-Phenylglycine ethyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C1=CC=CC=C1)N.Cl
• Isomeric SMILES: CCOC(=O)[C@H](C1=CC=CC=C1)N.Cl

Technology Process of (S)-Ethyl 2-amino-2-phenylacetate hydrochloride

There total 3 articles about (S)-Ethyl 2-amino-2-phenylacetate hydrochloride 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: 93.0%

ethanol (64-17-5) + (S)-2-phenylglycine (2935-35-5) → (S)-α-phenylglycine ethyl ester hydrochloride (59410-82-1)

Guidance literature:

With thionyl chloride; at 40 ℃;

Reference yield:

(2-methyl-propane-2-sulfinylamino)-phenyl-acetic acid ethyl ester → (S)-α-phenylglycine ethyl ester hydrochloride (59410-82-1) + (R)-2-phenylglycine ethyl ester hydrochloride (17609-48-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; at 20 ℃; Title compound not separated from byproducts;

DOI:10.1021/ja060529h

Reference yield:

phenylglycin (2835-06-5) → (S)-α-phenylglycine ethyl ester hydrochloride (59410-82-1)

Guidance literature:

Multi-step reaction with 2 steps

1: camphor-β-sulfonic acid

2: hydrochloric acid

With hydrogenchloride; (1S)-10-camphorsulfonic acid;

upstream raw materials:

ethanol

(S)-2-phenylglycine

phenylglycin

Downstream raw materials:

3-(4-Chloro-phenyl)-5-phenyl-4,5-dihydro-[1,2,4]oxadiazin-6-one

(S)-2-amino-1,1,2-triphenylethanol

(S)-ethyll 2-(benzyloxycarbonylamino)-2-phenylacetate

(2S)-2-[(tert-butoxycarbonyl)amino]-2-phenylethyl 4-methylbenzenesulfonate