n-Acetyl-l-phenylalanine propyl ester

Base Information

• Chemical Name: n-Acetyl-l-phenylalanine propyl ester
• CAS No.: 2361-97-9
• Molecular Formula: C₁₄H₁₉NO₃
• Molecular Weight: 249.31
• DSSTox Substance ID: DTXSID801287677
• Nikkaji Number: J1.004.453G
• Mol file: 2361-97-9.mol

Synonyms:n-acetyl-l-phenylalanine propyl ester;SCHEMBL1237078;DTXSID801287677;2361-97-9

Chemical Property of n-Acetyl-l-phenylalanine propyl ester

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 249.13649347
• Heavy Atom Count: 18
• Complexity: 272

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCOC(=O)C(CC1=CC=CC=C1)NC(=O)C
• Isomeric SMILES: CCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C

Technology Process of n-Acetyl-l-phenylalanine propyl ester

There total 12 articles about n-Acetyl-l-phenylalanine propyl ester 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: 95.0%

propan-1-ol (71-23-8) + ethyl N-acetyl-(L)-phenylalaninate (2361-96-8) → N-acetyl-(S)-phenylalanine propyl ester (118149-43-2,2361-97-9)

Guidance literature:

With crown ether-modified peptide; α-chymotrypsin; In cyclohexane; at 20 ℃;

DOI:10.1016/j.tet.2005.04.063

Reference yield:

methanol (67-56-1) + propan-1-ol (71-23-8) + ethyl N-acetyl-(L)-phenylalaninate (2361-96-8) + diethanolamine hydrochloride (14426-21-2) → AP-DEA + (S)-2-acetylamino-3-phenylpropanoic acid (2018-61-3) + (S)-N-acetylphenylalanine (3618-96-0) + N-acetyl-(S)-phenylalanine propyl ester (118149-43-2,2361-97-9)

Guidance literature:

With subtilisin A; water; at 40 ℃; Ionic liquid; Enzymatic reaction;

DOI:10.1039/b916497a

Reference yield:

propan-1-ol (71-23-8) + ethyl N-acetyl-(L)-phenylalaninate (2361-96-8) → (S)-2-acetylamino-3-phenylpropanoic acid (2018-61-3) + N-acetyl-(S)-phenylalanine propyl ester (118149-43-2,2361-97-9)

Guidance literature:

With Calbiochem protease from Bacillus licheniformis; at 50 ℃; Enzymatic reaction;

DOI:10.1016/j.molcatb.2011.05.015

upstream raw materials:

propan-1-ol

ethyl N-acetyl-(L)-phenylalaninate

acetyl L-phenylalanine chloroethyl ester

N-Acetyl-(D,L)-phenylalanine 2,2 2-trifluoroethyl ester

Refernces

• 1、 -. "NON-AQUEOUS ENZYME-POLYMER CONJUGATE SOLUTIONS AND RELATED METHODS". Paragraph 0108-0109; 0110. . Retrieved 2018/01/11.
• 2、 Mukherjee, Joyeeta,Gupta, Munishwar N.. "Enhancing the catalytic efficiency of subtilisin for transesterification by dual bioimprinting". . p. 4397 - 4401. Retrieved 2015/06/22.