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

Base Information

• Chemical Name: (S)-Methyl 2-amino-2-phenylacetate hydrochloride
• CAS No.: 15028-39-4
• Molecular Formula: C9H11 N O2 . Cl H
• Molecular Weight: 201.653
• Hs Code.: 2922499990
• European Community (EC) Number: 621-423-2
• DSSTox Substance ID: DTXSID10459060
• Mol file: 15028-39-4.mol

Synonyms:15028-39-4;L-Phenylglycine methyl ester hydrochloride;(S)-Methyl 2-amino-2-phenylacetate hydrochloride;13226-98-7;(S)-(+)-2-Phenylglycine methyl ester hydrochloride;H-Phg-OMe.HCl;H-PHG-OME HCL;Aminophenylacetic acid methyl ester;Methyl (S)-2-amino-2-phenylacetate hydrochloride;methyl (2S)-2-amino-2-phenylacetate;hydrochloride;METHYL (2S)-2-AMINO-2-PHENYLACETATE HYDROCHLORIDE;H-Phg-Ome Hydrochloride;(L)-PhgOMe.HCl;H-Phg-OMe. HCl;L-Phenylglycine methylester hydrochloride;SCHEMBL852495;D-(-)-alpha-Phenylglycine methyl ester hydrochloride;L-Phenylglycine methyl ester HCl;DTXSID10459060;DTHMTBUWTGVEFG-QRPNPIFTSA-N;MFCD00077158;(S)-2-Phenylglycine methyl ester HCl;AKOS015846000;HY-W019714;AC-12927;AS-17594;PD197042;l-phenyl-glycine methyl ester hydrochloride;methyl (S)-aminophenylacetate hydrochloride;CS-0031345;(S)-Methyl2-amino-2-phenylacetatehydrochloride;EN300-657360;F14561;methyl (2S)-amino(phenyl)acetate hydrochloride;A806408;Q-101782;(S)-(+)-2-Phenylglycine methyl ester hydrochloride, 97%;Methyl (2S)-amino(phenyl)acetate--hydrogen chloride (1/1)

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

Chemical Property:

• Vapor Pressure: 0.0412mmHg at 25°C
• Melting Point: 200 °C (dec.)(lit.)
• Boiling Point: 238.9°Cat760mmHg
• Flash Point: 104.7°C
• PSA: 52.32000
• Density: g/cm³
• LogP: 2.36170
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.0556563
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

(S)-(+)-2-Phenylglycine methyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 28 articles about (S)-Methyl 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: 100.0%

(S)-methyl 2-((S)-1-phenylethylamino)-2-phenylacetate (235786-93-3) → L-2-phenylglycine methyl ester hydrochloride (15028-39-4,13226-98-7)

Guidance literature:

With hydrogenchloride; hydrogen; palladium dihydroxide; In methanol; for 15h; under 760.051 Torr;

DOI:10.1002/anie.200704689

Reference yield: 99.0%

methanol (67-56-1) + (S)-2-phenylglycine (2935-35-5) → L-2-phenylglycine methyl ester hydrochloride (15028-39-4,13226-98-7)

Guidance literature:

With thionyl chloride; for 10h; Ambient temperature;

DOI:10.1021/jo00298a019

Reference yield: 99.0%

(S)-2-phenylglycine (2935-35-5) + 2,2-dimethoxy-propane (77-76-9) → L-2-phenylglycine methyl ester hydrochloride (15028-39-4,13226-98-7)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃;

DOI:10.1002/asia.201901470

upstream raw materials:

methanol

(S)-2-phenylglycine

(R)-methyl mandelate

N-benzyliden-α-phenyl-glycine methyl ester

Downstream raw materials:

(S)-(Dimethylamino-methyleneamino)-phenyl-acetic acid methyl ester

N-tert-butoxycarbonyl-L-phenylglycine methyl ester

(S)-methyl 2-((4-methylphenyl)sulfonamido)-2-phenylacetate

(S)-[2-(4-Benzyloxy-3-methoxy-phenyl)-2-(4-cyano-phenylamino)-acetylamino]-phenyl-acetic acid methyl ester

Refernces

• 1、 Decuyper, Lena,Juki?, Marko,Sosi?, Izidor,Amoroso, Ana Maria,Verlaine, Olivier,Joris, Bernard,Gobec, Stanislav,D'hooghe, Matthias. "Synthesis and Penicillin-binding Protein Inhibitory Assessment of Dipeptidic 4-Phenyl-β-lactams from α-Amino Acid-derived Imines". supporting information. p. 51 - 55. Retrieved 2019/11/28.
• 2、 -. "PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE". Page/Page column 217; 218. . Retrieved 2017/10/11.