4-Acetyl-L-phenylalanine Hydrochloride

Base Information

• Chemical Name: 4-Acetyl-L-phenylalanine Hydrochloride
• CAS No.: 20299-31-4
• Molecular Formula: C11H14ClNO3
• Molecular Weight: 243.68700
• European Community (EC) Number: 806-857-4
• Mol file: 20299-31-4.mol

Synonyms:4-Acetyl-L-phenylalanine Hydrochloride;20299-31-4;(S)-3-(4-Acetylphenyl)-2-aminopropanoic acid HCl;(2S)-3-(4-acetylphenyl)-2-aminopropanoic acid;hydrochloride;(S)-3-(4-acetylphenyl)-2-aminopropanoic acid hydrochloride;(2S)-3-(4-acetylphenyl)-2-aminopropanoic acid hydrochloride;4-Acetyl phenylalanine hydrochloride;4-Acetylphenylalanine hydrochloride;MFCD12911919;4-Acetyl-L-phenylalanineHydrochloride;AKOS025402647;DS-9075;CS-0155097;A879725;J-510646;Alanine, 3-(p-acetylphenyl)-, hydrochloride, L- (8CI)

Chemical Property of 4-Acetyl-L-phenylalanine Hydrochloride

Chemical Property:

• PSA: 80.39000
• LogP: 2.34590
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 243.0662210
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

4-Acetyl-L-phenylalanineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Acetyl-L-phenylalanine Hydrochloride

There total 3 articles about 4-Acetyl-L-phenylalanine 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:

C15H19NO4 → H-p-Acphe-OH (20299-31-4)

Guidance literature:

With hydrogenchloride; In water; at 90 ℃; for 6h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b00378

Reference yield:

D-(R)-phenylalanine (673-06-3,25191-15-5,658-69-5,67675-33-6) → H-p-Acphe-OH (20299-31-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: ethanol / Inert atmosphere; Reflux

1.2: Inert atmosphere; Reflux

2.1: aluminum (III) chloride / dichloromethane / 0 - 20 °C / Inert atmosphere

3.1: hydrogenchloride / water / 6 h / 90 °C / Inert atmosphere

With hydrogenchloride; aluminum (III) chloride; In ethanol; dichloromethane; water;

DOI:10.1021/acs.orglett.9b00378

Reference yield:

(R)-ethyl N-acetylphenylalanine (2361-96-8,4134-09-2,57772-79-9,20918-84-7) → H-p-Acphe-OH (20299-31-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride / dichloromethane / 0 - 20 °C / Inert atmosphere

2: hydrogenchloride / water / 6 h / 90 °C / Inert atmosphere

With hydrogenchloride; aluminum (III) chloride; In dichloromethane; water;

DOI:10.1021/acs.orglett.9b00378

upstream raw materials:

D-(R)-phenylalanine

(R)-ethyl N-acetylphenylalanine