[1-Ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;chloride

Base Information

• Chemical Name: [1-Ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;chloride
• CAS No.: 4089-07-0
• Molecular Formula: C11H16ClNO3
• Molecular Weight: 245.706
• Hs Code.: 29225090
• Mol file: 4089-07-0.mol

Synonyms:

Chemical Property of [1-Ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;chloride

Chemical Property:

• Appearance/Colour: crystalline
• Vapor Pressure: 3.59E-05mmHg at 25°C
• Melting Point: 166-170 °C
• Refractive Index: -6.5 ° (C=2, H2O)
• Boiling Point: 343.3 °C at 760 mmHg
• Flash Point: 161.4 °C
• PSA: 72.55000
• Density: 1.177 g/cm3
• LogP: 2.32740
• Storage Temp.: −20°C
• Water Solubility.: Soluble in water (3.685e+005 mg/L @ 25°C (est.)).
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 245.0818711
• Heavy Atom Count: 16
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CC1=CC=C(C=C1)O)[NH3+].[Cl-]
• Uses: L-Tyrosine Ethyl Ester Hydrochloride is used as a medical and organic intermediate and as an important amino protective agent. It is also used to introduce t-Boc protect gene.

Technology Process of [1-Ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;chloride

There total 2 articles about [1-Ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-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%

ethanol (64-17-5) + L-tyrosine (60-18-4,18875-48-4,25619-78-7,30704-25-7) → L-tyrosine ethyl ester monohydrochloride (4089-07-0)

Guidance literature:

With hydrogenchloride; for 8h; Heating;

DOI:10.1002/hlca.19950780111 DOI:10.1021/ja016030z

Reference yield:

tert-butyl methyl ether (1634-04-4) + L-tyrosine (60-18-4,18875-48-4,25619-78-7,30704-25-7) → L-tyrosine ethyl ester monohydrochloride (4089-07-0)

Guidance literature:

With hydrogenchloride; In ethanol;

Reference yield: 98.0%

L-tyrosine ethyl ester monohydrochloride (4089-07-0) + p-toluenesulfonyl chloride (98-59-9) → Ethyl N-(p-tosyl)tyrosinate (58559-09-4)

Guidance literature:

With sodium carbonate; In chloroform; water; at 20 ℃; for 2h;

DOI:10.1021/ol015526i

upstream raw materials:

ethanol

L-tyrosine

tert-butyl methyl ether

Downstream raw materials:

N,N'-oxalyl-di-L-tyrosine diethyl ester

N-(penta-O-acetyl-D-gluconoyl)-L-tyrosine ethyl ester

N-(3-iodo-propionyl)-L-tyrosine ethyl ester

N-((S)-2-amino-butyryl)-L-tyrosine ethyl ester; hydrochloride

Refernces

• 1、 -. "Method for preparing Fmoc-Tyr (tBu)-OH". Paragraph 0057-0058. . Retrieved 2020/12/30.
• 2、 Moshikur, Rahman Md.,Chowdhury, Md. Raihan,Wakabayashi, Rie,Tahara, Yoshiro,Moniruzzaman, Muhammad,Goto, Masahiro. "Characterization and cytotoxicity evaluation of biocompatible amino acid esters used to convert salicylic acid into ionic liquids". . p. 31 - 38. Retrieved 2018/05/28.