[(2S)-3-(4-Hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]azanium;chloride

Base Information

• Chemical Name: [(2S)-3-(4-Hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]azanium;chloride
• CAS No.: 3417-91-2
• Molecular Formula: C10H14ClNO3
• Molecular Weight: 231.679
• Hs Code.: 29225000
• Mol file: 3417-91-2.mol

Synonyms:[(2S)-3-(4-Hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]azanium;chloride;SCHEMBL12817308;methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chloride

Chemical Property of [(2S)-3-(4-Hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]azanium;chloride

Chemical Property:

• Appearance/Colour: Crystalline
• Melting Point: 192 °C (dec.)(lit.)
• Refractive Index: 13 ° (C=2, MeOH)
• Boiling Point: 330 °C at 760 mmHg
• Flash Point: 153.4 °C
• PSA: 72.55000
• Density: 1.21g/cm3
• LogP: 1.93730
• Storage Temp.: Store at RT.
• Sensitive.: Hygroscopic
• Water Solubility.: very faint turbidity in Water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 231.0662210
• Heavy Atom Count: 15
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C(CC1=CC=C(C=C1)O)[NH3+].[Cl-]
• Isomeric SMILES: COC(=O)[C@H](CC1=CC=C(C=C1)O)[NH3+].[Cl-]

Technology Process of [(2S)-3-(4-Hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]azanium;chloride

There total 16 articles about [(2S)-3-(4-Hydroxyphenyl)-1-methoxy-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%

methanol (67-56-1) + ?Tyr (556-02-5,556-03-6,34537-57-0,55520-40-6,96946-98-4,60-18-4,18875-48-4,25619-78-7,30704-25-7) → tyrosine methyl ester hydrochloride (3417-91-2,3728-20-9,68697-61-0)

Guidance literature:

With thionyl chloride; at 10 - 25 ℃; Cooling with ice;

Reference yield: 100.0%

→ tyrosine methyl ester hydrochloride (3417-91-2,3728-20-9,68697-61-0)

Guidance literature:

With thionyl chloride; at 0 - 75 ℃; for 21h;

Reference yield: 100.0%

methanol (67-56-1) → L-tyrosine methyl ester HCl (3417-91-2)

Guidance literature:

With thionyl chloride; at 0 ℃; Reflux;

DOI:10.1016/j.ejmech.2016.03.017

upstream raw materials:

methanol

L-tyrosine

2,2-dimethoxy-propane

Boc-Tyr-OH

Downstream raw materials:

N-benzoyl-L-tyrosine methylamide

Z-Lys(Tos)-Tyr-OMe

(S)-3-Acetyl-1-(4-chloro-phenyl)-5-(4-hydroxy-benzyl)-4,5-dihydro-1H-[1,2,4]triazin-6-one

2-chloro-4-nitrobenzoyl-L-Tyr-OMe

Refernces

• 1、 Ranjbar, Sara,Riente, Paola,Rodríguez-Escrich, Carles,Yadav, Jagjit,Ramineni, Kishore,Pericàs, Miquel A.. "Polystyrene or Magnetic Nanoparticles as Support in Enantioselective Organocatalysis? A Case Study in Friedel-Crafts Chemistry". . p. 1602 - 1605. Retrieved 2016.
• 2、 Drouza, Chryssoula,Papagiouvannis, Georgios,Petrou, Anthi,Rekka, Eleni A.,Theodosis-Nobelos, Panagiotis,Tziona, Paraskevi. "Enhancement of the Anti-Inflammatory Activity of NSAIDs by Their Conjugation with 3,4,5-Trimethoxybenzyl Alcohol". . . Retrieved 2022/04/09.
• 3、 -. "Preparation method of L-tyrosine derivative". Paragraph 0034-0038; 0045-0047; 0054-0059; 0066-0071. . Retrieved 2021/06/09.