Penta-L-phenylalanine

Base Information

• Chemical Name: Penta-L-phenylalanine
• CAS No.: 65757-10-0
• Molecular Formula: C45H47N5O6
• Molecular Weight: 753.898
• DSSTox Substance ID: DTXSID20409359
• Mol file: 65757-10-0.mol

Synonyms:65757-10-0;PENTA-L-PHENYLALANINE ACETATE SALT;Penta-L-phenylalanine;SCHEMBL14772130;DTXSID20409359;FT-0710396;Phe-Phe-Phe-Phe-Phe acetate salt, >=97% (HPLC)

Chemical Property of Penta-L-phenylalanine

Chemical Property:

• Boiling Point: 1108.4±65.0 °C(Predicted)
• PKA: 3.50±0.10(Predicted)
• PSA: 179.72000
• Density: 1.249±0.06 g/cm3(Predicted)
• LogP: 5.81490
• Storage Temp.: −20°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 19
• Exact Mass: 753.35263424
• Heavy Atom Count: 56
• Complexity: 1230

Purity/Quality:

99% ^*data from raw suppliers

Phe-Phe-Phe-Phe-Phe acetate salt ≥97% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)O)N

Technology Process of Penta-L-phenylalanine

There total 8 articles about Penta-L-phenylalanine 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: 70.0%

L-phenylalanyl-L-phenylalanyl-L-phenylalanyl-L-phenylalanyl-L-phenylalanine methyl ester → L-phenylalanyl-L-phenylalanyl-L-phenylalanyl-L-phenylalanyl-L-phenylalanine (65757-10-0)

Guidance literature:

With lithium hydroxide monohydrate; In methanol; water; at 20 ℃; for 2h;

DOI:10.1021/acs.orglett.0c00036

Reference yield:

L-phenylalanyl-L-phenylalanine methyl ester (13082-29-6,80546-83-4,94788-14-4,120706-60-7) → L-phenylalanyl-L-phenylalanyl-L-phenylalanyl-L-phenylalanyl-L-phenylalanine (65757-10-0)

Guidance literature:

Multi-step reaction with 7 steps

1.1: benzotriazol-1-ol / N,N-dimethyl-formamide / 0.25 h / 0 °C

1.2: 0.08 h / 0 °C

1.3: 24 h / 0 - 20 °C

2.1: palladium 10% on activated carbon; hydrogen / ethanol / 2 h

3.1: benzotriazol-1-ol / N,N-dimethyl-formamide / 0.25 h / 0 °C

3.2: 0.08 h / 0 °C

3.3: 24 h / 0 - 20 °C

4.1: palladium 10% on activated carbon; hydrogen / ethanol / 2 h

5.1: benzotriazol-1-ol / N,N-dimethyl-formamide / 0.25 h / 0 °C

5.2: 0.08 h / 0 °C

5.3: 24 h / 0 - 20 °C

6.1: palladium 10% on activated carbon; hydrogen / ethanol / 2 h

7.1: lithium hydroxide monohydrate / methanol; water / 2 h / 20 °C

With lithium hydroxide monohydrate; palladium 10% on activated carbon; hydrogen; benzotriazol-1-ol; In methanol; ethanol; water; N,N-dimethyl-formamide;

DOI:10.1021/acs.orglett.0c00036

Reference yield:

methyl (2S)-2-amino-3-phenylpropanoate (2577-90-4) → L-phenylalanyl-L-phenylalanyl-L-phenylalanyl-L-phenylalanyl-L-phenylalanine (65757-10-0)

Guidance literature:

Multi-step reaction with 9 steps

1.1: benzotriazol-1-ol / N,N-dimethyl-formamide / 0.25 h / 0 °C

1.2: 0.08 h / 0 °C

1.3: 24 h / 0 - 20 °C

2.1: trifluoroacetic acid / dichloromethane / 2.25 h / 0 - 20 °C / Inert atmosphere

3.1: benzotriazol-1-ol / N,N-dimethyl-formamide / 0.25 h / 0 °C

3.2: 0.08 h / 0 °C

3.3: 24 h / 0 - 20 °C

4.1: palladium 10% on activated carbon; hydrogen / ethanol / 2 h

5.1: benzotriazol-1-ol / N,N-dimethyl-formamide / 0.25 h / 0 °C

5.2: 0.08 h / 0 °C

5.3: 24 h / 0 - 20 °C

6.1: palladium 10% on activated carbon; hydrogen / ethanol / 2 h

7.1: benzotriazol-1-ol / N,N-dimethyl-formamide / 0.25 h / 0 °C

7.2: 0.08 h / 0 °C

7.3: 24 h / 0 - 20 °C

8.1: palladium 10% on activated carbon; hydrogen / ethanol / 2 h

9.1: lithium hydroxide monohydrate / methanol; water / 2 h / 20 °C

With lithium hydroxide monohydrate; palladium 10% on activated carbon; hydrogen; benzotriazol-1-ol; trifluoroacetic acid; In methanol; ethanol; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1021/acs.orglett.0c00036

upstream raw materials:

N-tert-butoxycarbonyl-L-phenylalanine

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

L-phenylalanyl-L-phenylalanine methyl ester

N-alpha-carbobenzoxy-L-phenylalanyl-L-phenylalanyl-L-phenylalanine methyl ester

Downstream raw materials:

C₅₄H₆₄N₆O₁₀S

C₆₁H₇₃N₉O₁₄S

C₇₁H₈₈N₁₀O₁₅S

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