CID 7009556

Base Information

• Chemical Name: CID 7009556
• CAS No.: 17355-18-9
• Molecular Formula: C18H20 N2 O4
• Molecular Weight: 328.368
• Hs Code.: 2924299090
• Mol file: 17355-18-9.mol

Synonyms:

Chemical Property of CID 7009556

Chemical Property:

• Vapor Pressure: 2.27E-17mmHg at 25°C
• Refractive Index: 1.625
• Boiling Point: 642.2°Cat760mmHg
• Flash Point: 342.2°C
• PSA: 112.65000
• Density: 1.3g/cm³
• LogP: 2.16530
• Storage Temp.: -15°C
• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 328.14230712
• Heavy Atom Count: 24
• Complexity: 410

Purity/Quality:

99% ^*data from raw suppliers

Phe-Tyr-OH ≥ 95% (Assay) ^*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)NC(CC2=CC=C(C=C2)O)C(=O)[O-])[NH3+]
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)[O-])[NH3+]

Technology Process of CID 7009556

There total 4 articles about CID 7009556 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:

N-Fmoc L-Phe (35661-40-6) + Fmoc-Tyr(tBu)-OH (71989-38-3,118488-18-9,204384-67-8) → L-phenylalanyl-L-tyrosine (17355-18-9)

Guidance literature:

Fmoc-Tyr(tBu)-OH; With 1-methyl-1H-imidazole; diisopropyl-carbodiimide; at 20 ℃; for 2h; Green chemistry;

With piperidine; In N,N-dimethyl-formamide; for 0.133333h; Green chemistry;

N-Fmoc L-Phe; Further stages; Green chemistry;

DOI:10.1016/j.tetlet.2019.151058

Reference yield:

methyl (2S)-2-amino-3-phenylpropanoate (2577-90-4) + L-tyrosine (60-18-4,18875-48-4,25619-78-7,30704-25-7) → L-phenylalanyl-L-tyrosine (17355-18-9) + (3S,6S)-3,6-dibenzylpiperazine-2,5-dione (2862-51-3)

Guidance literature:

With aminolysin-A; In water; dimethyl sulfoxide; at 50 ℃; for 6h; pH=8; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1039/c0ob00403k

Reference yield:

2-bromo-3-phenylpropionyl chloride (81136-07-4,42762-86-7) + L-tyrosine (60-18-4,18875-48-4,25619-78-7,30704-25-7) → N-Ξ-phenylalanyl-L-tyrosine (17355-18-9,66421-18-9,86432-27-1,87579-24-6)

Guidance literature:

With potassium hydroxide; Erhitzen des Reaktionsprodukts mit wss. Ammoniak;

upstream raw materials:

methyl (2S)-2-amino-3-phenylpropanoate

L-tyrosine

N-Fmoc L-Phe

Fmoc-Tyr(tBu)-OH

Downstream raw materials:

N-(4-methoxybenzoyl)-phenylalanyltyrosine

L-phenylalanine

phenylalanyltyrosine hydrogensquarate

Refernces

• 1、 Usuki, Hirokazu,Yamamoto, Yukihiro,Arima, Jiro,Iwabuchi, Masaki,Miyoshi, Shozo,Nitoda, Teruhiko,Hatanaka, Tadashi. "Peptide bond formation by aminolysin-A catalysis: A simple approach to enzymatic synthesis of diverse short oligopeptides and biologically active puromycins". experimental part. p. 2327 - 2335. Retrieved 2011/05/02.