2-[[2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetic acid

Base Information

• Chemical Name: 2-[[2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
• CAS No.: 82816-76-0
• Molecular Formula: C25H31 N3 O6
• Molecular Weight: 469.538
• DSSTox Substance ID: DTXSID70407800
• Mol file: 82816-76-0.mol

Synonyms:Boc-Phe-Phe-Gly;82816-76-0;Boc-Phe-Phe-Gly-OH;2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetic acid;DTXSID70407800;FT-0641883

Chemical Property of 2-[[2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetic acid

Chemical Property:

• Vapor Pressure: 1.52E-26mmHg at 25°C
• Melting Point: 135-137 °C
• Refractive Index: 1.566
• Boiling Point: 793.4°C at 760 mmHg
• PKA: 3.33±0.10(Predicted)
• Flash Point: 433.7°C
• PSA: 133.83000
• Density: 1.222g/cm³
• LogP: 3.22340
• Storage Temp.: −20°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 469.22128572
• Heavy Atom Count: 34
• Complexity: 693

Purity/Quality:

99% ^*data from raw suppliers

Boc-Phe-Phe-Gly-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O

Technology Process of 2-[[2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetic acid

There total 12 articles about 2-[[2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetic acid 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: 91.0%

Boc-Phe-Phe-Gly-ONb (139152-00-4) → N-tert-butoxycarbonyl-L-phenylalanine-L-phenylalanine-glycine (82816-76-0)

Guidance literature:

With hydrogen; acetic acid; palladium; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

DOI:10.1007/BF00629803

Reference yield: 85.0%

Boc-Phe-Phe-Gly-OMe (66876-64-0) → N-tert-butoxycarbonyl-L-phenylalanine-L-phenylalanine-glycine (82816-76-0)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; methanol; 0 deg C, 5 h, RT;

DOI:10.1016/0223-5234(88)90006-2

Reference yield: 82.0%

Boc-Phe-Phe-Gly-OEt (62307-54-4) → N-tert-butoxycarbonyl-L-phenylalanine-L-phenylalanine-glycine (82816-76-0)

Guidance literature:

With sodium hydroxide; In methanol; water; at 0 ℃; for 1h;

upstream raw materials:

Boc-Phe-Phe-Gly-OMe

Boc-Phe-Phe-Gly-OEt

Boc-Phe-Phe-Gly-ONb

Boc-Phe-Phe-Gly-OBzl

Downstream raw materials:

N-t-Boc-Phe-Phe-Gly-Leu-Met-NH₂

Boc-(Phe)2-Gly-(Sar)2-OMe

Boc-(Phe)2-Gly-Sar-Gly-OEt

Boc-Phe-Phe-Gly-His-Met-NH₂