N-(1-Oxo-4-(1-pyrenyl)butyl)-L-phenylalanine

Base Information

• Chemical Name: N-(1-Oxo-4-(1-pyrenyl)butyl)-L-phenylalanine
• CAS No.: 199612-75-4
• Molecular Formula: C₂₉H₂₅NO₃
• Molecular Weight: 435.522
• UNII: 7U77MPQ0M2
• DSSTox Substance ID: DTXSID10601961
• Nikkaji Number: J910.606E
• Mol file: 199612-75-4.mol

Synonyms:N-(1-phenylalanine)-4-(1-pyrene)butyramide;Py-Phe

Chemical Property of N-(1-Oxo-4-(1-pyrenyl)butyl)-L-phenylalanine

Chemical Property:

• Refractive Index: 1.726
• Boiling Point: 729.1 °C at 760 mmHg
• Flash Point: 394.7 °C
• PSA: 66.40000
• Density: 1.284 g/cm³
• LogP: 6.10970
• Storage Temp.: 2-8°C
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 435.18344366
• Heavy Atom Count: 33
• Complexity: 686

Purity/Quality:

98%Min ^*data from raw suppliers

N-(1-L-Phenylalanine)-4-(1-pyrene)butyramide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2
• Uses: A photoactive reagent that binds to specific sites in proteins and cleaves the protein backbone when irradiated with light Of interest for the investigation of site specific photocleavage of proteins. A n electron acceptor, such as cobalt (III) hexammine (CoHA) is required for this reaction Photocleavage probe.

Technology Process of N-(1-Oxo-4-(1-pyrenyl)butyl)-L-phenylalanine

There total 13 articles about N-(1-Oxo-4-(1-pyrenyl)butyl)-L-phenylalanine 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: 91.6%

N-[4-(1-pyrene)butyroyl]-L-phenylalanine methyl ester → N-[4-(1-pyrene)-butyroyl]-L-phenylalanine (199612-75-4)

Guidance literature:

N-[4-(1-pyrene)butyroyl]-L-phenylalanine methyl ester; With sodium hydroxide; In methanol; for 10h;

With hydrogenchloride; In water; pH=2;

DOI:10.1039/c3sm27050e

Reference yield: 33.0%

1-pyrenebutyric acid (3443-45-6) + methyl (2S)-2-amino-3-phenylpropanoate hydrochloride (7524-50-7) → N-[4-(1-pyrene)-butyroyl]-L-phenylalanine (199612-75-4)

Guidance literature:

1-pyrenebutyric acid; methyl (2S)-2-amino-3-phenylpropanoate hydrochloride; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 15h;

With lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 13h;

DOI:10.1002/anie.202111612

Reference yield:

1-pyrenebutyric acid (3443-45-6) → N-[4-(1-pyrene)-butyroyl]-L-phenylalanine (199612-75-4)

Guidance literature:

Multi-step reaction with 2 steps

1: DCC / acetonitrile / 4 h / Ambient temperature

2: 1 N aq. HCl / 12 h / Ambient temperature

With hydrogenchloride; dicyclohexyl-carbodiimide; In acetonitrile;

DOI:10.1002/anie.199720851

upstream raw materials:

1-pyrenebutyric acid

H-Phe-OEt

(L)-phenylalanine ethyl ester hydrochloride

L-phenylalanine

Downstream raw materials:

C₃₄H₃₇N₃O₂

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