3-(Phenylmethyl)-L-tyrosine

Base Information

• Chemical Name: 3-(Phenylmethyl)-L-tyrosine
• CAS No.: 42294-58-6
• Molecular Formula: C₁₆H₁₇NO₃
• Molecular Weight: 271.316
• DSSTox Substance ID: DTXSID801310830
• Nikkaji Number: J3.607.492B
• ChEMBL ID: CHEMBL3809645

Synonyms:CHEMBL3809645;3-benzyl-tyrosine;3-(Phenylmethyl)-L-tyrosine;SCHEMBL2299795;DTXSID801310830;BDBM50174343;J3.607.492B;(S)-2-Amino-3-(3-benzyl-4-hydroxyphenyl)propionic acid;42294-58-6

Chemical Property of 3-(Phenylmethyl)-L-tyrosine

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 271.12084340
• Heavy Atom Count: 20
• Complexity: 315

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=C(C=CC(=C2)CC(C(=O)O)N)O
• Isomeric SMILES: C1=CC=C(C=C1)CC2=C(C=CC(=C2)C[C@@H](C(=O)O)N)O

Technology Process of 3-(Phenylmethyl)-L-tyrosine

There total 2 articles about 3-(Phenylmethyl)-L-tyrosine 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:

O-benzyl-S-tyrosine (16652-64-5) → 3-benzyltyrosine (42294-58-6) + L-tyrosine (60-18-4,18875-48-4,25619-78-7,30704-25-7)

Guidance literature:

With dimethylsulfide; trifluorormethanesulfonic acid; trifluoroacetic acid; at 0 ℃; Product distribution; Mechanism; different acid concentrations;

DOI:10.1021/ja00277a031

Reference yield:

→ 3-benzyltyrosine (42294-58-6)

Guidance literature:

L-Tyrosin, Benzylchlorid (1 Mol), 6n-HCl, geschl. Gefaess, 115grad, 2. wss. KHCO3-Lsg., neben Verbb. II und III;

DOI:10.1002/hlca.19620450516

upstream raw materials:

O-benzyl-S-tyrosine

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