CID 7010480

Base Information

• Chemical Name: CID 7010480
• CAS No.: 3061-88-9
• Molecular Formula: C₁₂H₁₆N₂O₄
• Molecular Weight: 252.27
• Hs Code.: 2924299090
• Mol file: 3061-88-9.mol

Synonyms:

Chemical Property of CID 7010480

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 2.76E-13mmHg at 25°C
• Melting Point: 238-240℃ (decomposition)
• Refractive Index: 22 ° (C=2, 5mol/L HCl)
• Boiling Point: 558 °C at 760 mmHg
• PKA: 3.03±0.10(Predicted)
• Flash Point: 291.2 °C
• PSA: 112.65000
• Density: 1.315 g/cm³
• LogP: 0.94250
• Storage Temp.: −20°C
• Solubility.: almost transparency in 5mol/L HCl
• Water Solubility.: 17.99g/L at 20℃
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 252.11100700
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

H-Ala-Tyr-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)[O-])[NH3+]
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)[O-])[NH3+]
• Uses: L-Alanyl-L-tyrosine is used as a tyrosin source in intravenous nutrition of the rate.

Technology Process of CID 7010480

There total 5 articles about CID 7010480 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-benzyloxycarbonyl-L-alanyl-L-tyrosine (13122-97-9) → L-alanyl-L-tyrosine (3061-88-9,19659-02-0,91604-98-7,129472-87-3)

Guidance literature:

With hydrogen;

Reference yield:

N-(N-benzyloxycarbonyl-L-alanyl)-L-tyrosine benzyl ester (91307-60-7) → L-alanyl-L-tyrosine (3061-88-9,19659-02-0,91604-98-7,129472-87-3)

Guidance literature:

With methanol; palladium; acetic acid; Hydrogenolyse;

Reference yield:

L-tyrosine ethyl ester (949-67-7) + α-bromopropionyl bromide (563-76-8) → L-alanyl-L-tyrosine (3061-88-9,19659-02-0,91604-98-7,129472-87-3) + N-D-alanyl-L-tyrosine (91604-98-7)

Guidance literature:

With sodium hydroxide; Behandeln des danach erhaltenen Reaktionsprodukts mit wss. Ammoniak;

upstream raw materials:

L-tyrosine ethyl ester

α-bromopropionyl bromide

N-(N-benzyloxycarbonyl-L-alanyl)-L-tyrosine benzyl ester

N-benzyloxycarbonyl-L-alanyl-L-tyrosine

Downstream raw materials:

N-(dibutyloxyphosphoryl)-L-alanyl-L-tyrosine

Boc-Cys(MBzl)-Ala-Gly-Ala-Tyr-OH

Ala-Tyr-OMe

C₁₆H₂₀N₂O₅

Refernces

• 1、 Kawasaki, Koichi,Maeda, Mitsuko,Tamura, Hiromi,Ohashi, Sumiko,Yoshimura, Tetsuhiko,Hatayama Etsuji et al.. "Amino Acids and Peptides. III. Synthesis of Model Peptides Related to Cytochrome P-450". . p. 1717 - 1723. Retrieved 2007/10/02.