LL-dityrosine

Base Information

• Chemical Name: LL-dityrosine
• CAS No.: 63442-81-9
• Molecular Formula: C₁₈H₂₀N₂O₆
• Molecular Weight: 360.367
• UNII: CJ9XG8HS20
• Metabolomics Workbench ID: 57471
• Nikkaji Number: J703.831C
• Wikidata: Q27122141
• Mol file: 63442-81-9.mol

Synonyms:3,3'-dityrosine;bityrosine;dityrosine;o,o-dityrosine

Chemical Property of LL-dityrosine

Chemical Property:

• XLogP3: -3.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 360.13213636
• Heavy Atom Count: 26
• Complexity: 458

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)C2=C(C=CC(=C2)CC(C(=O)O)N)O)O
• Isomeric SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)C2=C(C=CC(=C2)C[C@@H](C(=O)O)N)O)O

Technology Process of LL-dityrosine

There total 7 articles about LL-dityrosine 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: 90.0%

(R)-2-Benzyloxycarbonylamino-3-[5'-((R)-2-benzyloxycarbonylamino-2-carboxy-ethyl)-6,2'-dihydroxy-biphenyl-3-yl]-propionic acid → o,o'-D-Dityrosine (980-21-2,63442-81-9)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1039/a805489d

Reference yield:

L-tyrosine (60-18-4,18875-48-4,25619-78-7,30704-25-7) → 3-nitro-L-tyrosine (621-44-3) + o,o′-dityrosine (63442-81-9)

Guidance literature:

With SOTS-1; Spermine nitric oxide complex; In various solvent(s); at 37 ℃; for 4.5h; pH=7.5; Further Variations:; Reagents; Product distribution;

DOI:10.1021/tx0001272

Reference yield:

(D)-N-(carboxybenzyloxy)tyrosine methyl ester → o,o'-D-Dityrosine (980-21-2,63442-81-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 52 percent / VOF₃

2: 94 percent / LiOH, H₂O

3: 90 percent / H₂ / Pd/C

With lithium hydroxide; vanadium(V) oxytrifluoride; water; hydrogen; palladium on activated charcoal;

DOI:10.1039/a805489d

upstream raw materials:

L-tyrosine radical

L-tyrosine

tyrosine