N-(N-(1-Carboxy-3-phenylpropyl)alanyl)-N-(indan-2-yl)glycine

Base Information

• Chemical Name: N-(N-(1-Carboxy-3-phenylpropyl)alanyl)-N-(indan-2-yl)glycine
• CAS No.: 83435-65-8
• Molecular Formula: C₂₄H₂₈N₂O₅
• Molecular Weight: 424.497
• DSSTox Substance ID: DTXSID801003429
• Mol file: 83435-65-8.mol

Synonyms:CPPAIG;N-(N-(1-carboxy-3-phenylpropyl)alanyl)-N-(indan-2-yl)glycine;N-(N-(1-carboxy-3-phenylpropyl)alanyl)-N-(indan-2-yl)glycine hydrochloride, (S)-L-Ala-isomer;N-(N-(1-carboxy-3-phenylpropyl)alanyl)-N-(indan-2-yl)glycine, (S)-L-Ala-isomer

Chemical Property of N-(N-(1-Carboxy-3-phenylpropyl)alanyl)-N-(indan-2-yl)glycine

Chemical Property:

• Vapor Pressure: 1.14E-18mmHg at 25°C
• Boiling Point: 666.4°C at 760 mmHg
• Flash Point: 356.8°C
• PSA: 106.94000
• Density: 1.29g/cm³
• LogP: 2.52200
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 424.19982200
• Heavy Atom Count: 31
• Complexity: 620

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)N(CC(=O)O)C1CC2=CC=CC=C2C1)NC(CCC3=CC=CC=C3)C(=O)O

Technology Process of N-(N-(1-Carboxy-3-phenylpropyl)alanyl)-N-(indan-2-yl)glycine

There total 9 articles about N-(N-(1-Carboxy-3-phenylpropyl)alanyl)-N-(indan-2-yl)glycine 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: 58.0%

delapril hydrochloride (83435-67-0) → Delaprilat (83398-08-7,83435-65-8)

Guidance literature:

With sodium hydroxide; In methanol;

DOI:10.1248/cpb.34.2852

Reference yield:

delapril (83435-67-0,110508-92-4,110508-93-5,83435-66-9) → ethanol (64-17-5) + Delaprilat (83398-08-7,83435-65-8)

Guidance literature:

With Tris-HCl buffer; human liver carboxylesterase pI 5.3; at 37 ℃; pH=7.4; Enzyme kinetics;

DOI:10.1248/bpb.20.869

Reference yield:

2-oxo-4-phenylbutanoic acid ethyl ester (64920-29-2) → Delaprilat (83398-08-7,83435-65-8)

Guidance literature:

Multi-step reaction with 6 steps

1: 29 percent / H₂, AcONa, AcOH, molecular sieves 3A / Raney Ni / ethanol

2: 93 percent / HCl / H₂O / 4 h

3: 68 percent / diethyl phosphorocyanidate, Et₃N / dimethylformamide / 1 h

4: 95 percent / HBr-AcOH 25percent / acetic acid / 0.17 h

5: 74 percent / NaHCO₃, 7N HCl / ethyl acetate; H₂O

6: 58 percent / 2N NaOH / methanol

With hydrogenchloride; sodium hydroxide; diethyl cyanophosphonate; 3 A molecular sieve; hydrogen bromide; hydrogen; sodium acetate; sodium hydrogencarbonate; acetic acid; triethylamine; nickel; In methanol; ethanol; water; acetic acid; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1248/cpb.34.2852

upstream raw materials:

delapril hydrochloride

delapril

2-oxo-4-phenylbutanoic acid ethyl ester

N--L-alanyl>-N-(indan-2-yl)glycine