[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium;chloride

Base Information

• Chemical Name: [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium;chloride
• CAS No.: 7524-50-7
• Molecular Formula: C10H14ClNO2
• Molecular Weight: 215.68
• Hs Code.: 29224995
• Mol file: 7524-50-7.mol

Synonyms:[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium;chloride;L-PheC1Cl

Chemical Property of [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium;chloride

Chemical Property:

• Appearance/Colour: white to off-white fine crystalline powder
• Vapor Pressure: 0.01mmHg at 25°C
• Melting Point: 158-162 °C(lit.)
• Refractive Index: 38 ° (C=2, EtOH)
• Boiling Point: 264.2 °C at 760 mmHg
• Flash Point: 126 °C
• PSA: 52.32000
• LogP: 2.23170
• Storage Temp.: −20°C
• Sensitive.: Hygroscopic
• Solubility.: It is soluble in methanol. (5mg/ ml-clear colorless solution)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 215.0713064
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

L-Phenylalanine methyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: Xi,C
• Statements: 36/37/38-34
• Safety Statements: 24/25-45-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC1=CC=CC=C1)[NH3+].[Cl-]
• Isomeric SMILES: COC(=O)[C@H](CC1=CC=CC=C1)[NH3+].[Cl-]
• Uses: Methyl L-phenylalaninate hydrochloride is used in pharmaceutical, food,animal feed,cosmetic,bio-chemical research etc.

Technology Process of [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium;chloride

There total 39 articles about [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium;chloride 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%

L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) → methyl (2S)-2-amino-3-phenylpropanoate hydrochloride (7524-50-7)

Guidance literature:

With thionyl chloride; In methanol;

Reference yield: 100.0%

(S)-2-tert-butoxycarbonylamino-3-phenyl-propionic acid methyl ester (51987-73-6) → methyl (2S)-2-amino-3-phenylpropanoate hydrochloride (7524-50-7)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 0 ℃; for 2h;

DOI:10.1246/bcsj.67.2478

Reference yield: 99.0%

L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) + 2,2-dimethoxy-propane (77-76-9) → methyl (2S)-2-amino-3-phenylpropanoate hydrochloride (7524-50-7)

Guidance literature:

With hydrogenchloride; at 20 ℃; for 18h;

DOI:10.1002/asia.201901470

upstream raw materials:

methanol

L-phenylalanine

N-formyl-L-phenylalanine

DL-β-chloro-β-phenylalanine hydrochloride

Downstream raw materials:

2?(1,3?dioxoisoindolin?2?yl)acetyl methyl phenylalaninate

(S)-2-(nicotinamido)-3-phenylpropanoic acid

methyl N-trityl-(S)-phenylalaninate

N-benzyloxycarbonylglycyl-L-phenylalanine methyl ester

Refernces

• 1、 -. "Application of proteasome inhibitor in inhibition of novel coronavirus". Paragraph 0162-0165. . Retrieved 2021/06/22.
• 2、 Adamek, Martina,Essig, Sebastian,Kurz, Michael,Menche, Dirk,Sch?nenbroicher, Max,Seul, Maximilian,Spindler, Stefanie,Wingen, Lukas M.,Ziemert, Nadine. "Modular Fragment Synthesis and Bioinformatic Analysis Propose a Revised Vancoresmycin Stereoconfiguration". supporting information. p. 1175 - 1180. Retrieved 2021/01/13.