CID 7098697

Base Information

• Chemical Name: CID 7098697
• CAS No.: 20368-24-5
• Molecular Formula: C₂₁H₃₃N₃O₅
• Molecular Weight: 407.51
• Mol file: 20368-24-5.mol

Synonyms:

Chemical Property of CID 7098697

Chemical Property:

• Vapor Pressure: 2.75E-20mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 695.2 °C at 760 mmHg
• Flash Point: 374.2 °C
• PSA: 141.75000
• Density: 1.173 g/cm³
• LogP: 2.89050
• Storage Temp.: −20°C
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 407.24202116
• Heavy Atom Count: 29
• Complexity: 539

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)[O-])[NH3+]
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)[O-])[NH3+]
• Uses: H-Leu-Leu-Tyr-OH can be used as a method for obtaining functional food for aftercare of oncological patients.

Technology Process of CID 7098697

There total 11 articles about CID 7098697 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-t-Boc-Leu-Leu-Tyr(t-Bu) → Leu-Leu-Tyr (20368-24-5)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In water; for 2h;

DOI:10.1021/ja027942j

Reference yield:

N-t-Boc-D-Leu-D-Leu-D-Tyr(t-Bu) → D-Leu-D-Leu-D-Tyr (20368-24-5)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In water; for 2h;

DOI:10.1021/ja027942j

Reference yield:

N-tert-butoxycarbonyl-L-leucine (13139-15-6,53296-34-7) → Leu-Leu-Tyr (20368-24-5)

Guidance literature:

Multi-step reaction with 5 steps

1: DCC / ethyl acetate; dimethylformamide / 0 - 20 °C

2: aq. NaHCO₃ / dioxane / 20 °C

3: ethyl acetate; dimethylformamide / 0 - 20 °C

4: aq. NaHCO₃ / dioxane / 20 °C

5: 5 g / TFA; Et₃SiH / H₂O / 2 h

With triethylsilane; sodium hydrogencarbonate; dicyclohexyl-carbodiimide; trifluoroacetic acid; In 1,4-dioxane; water; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/ja027942j

upstream raw materials:

Boc-Leu-ONSu

N-tert-butoxycarbonyl-L-leucine

(S)-2-((S)-2-tert-Butoxycarbonylamino-4-methyl-pentanoylamino)-4-methyl-pentanoic acid

N-t-Boc-Leu-Leu-OSu

Refernces

• 1、 -. "Tripeptides and their use". . . Retrieved 2008/06/13.