N-[1-(S)-Benzyloxycarbonyl-3-phenylpropyl]-L-alanine

Base Information

• Chemical Name: N-[1-(S)-Benzyloxycarbonyl-3-phenylpropyl]-L-alanine
• CAS No.: 89371-42-6
• Molecular Formula: C20H23NO4
• Molecular Weight: 341.40092
• DSSTox Substance ID: DTXSID20564230
• Wikidata: Q82448855
• Mol file: 89371-42-6.mol

Synonyms:N-[1-(S)-Benzyloxycarbonyl-3-phenylpropyl]-L-alanine;89371-42-6;(2S)-2-[[(2S)-1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl]amino]propanoic acid;SCHEMBL7270101;DTXSID20564230;AKOS030242997;N-[1-(S)-Cbz-3-phenylpropyl]-L-alanine;N-[(2S)-1-(Benzyloxy)-1-oxo-4-phenylbutan-2-yl]-L-alanine

Chemical Property of N-[1-(S)-Benzyloxycarbonyl-3-phenylpropyl]-L-alanine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 524.011°C at 760 mmHg
• Flash Point: 270.712°C
• PSA: 75.63000
• Density: 1.179g/cm³
• LogP: 3.18480
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 341.16270821
• Heavy Atom Count: 25
• Complexity: 414

Purity/Quality:

97% ^*data from raw suppliers

N-[1-(S)-Benzyloxycarbonyl-3-phenylpropyl]-L-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)NC(CCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2
• Isomeric SMILES: C[C@@H](C(=O)O)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2
• Uses: Intermediate in the preparation of Imidaprilat

Technology Process of N-[1-(S)-Benzyloxycarbonyl-3-phenylpropyl]-L-alanine

There total 9 articles about N-[1-(S)-Benzyloxycarbonyl-3-phenylpropyl]-L-alanine 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: 94.0%

(S)-2-((S)-1-tert-Butoxycarbonyl-ethylamino)-4-phenyl-butyric acid benzyl ester; compound with (Z)-but-2-enedioic acid (117560-15-3) → (2S)-2-amino>propionic acid (89371-42-6)

Guidance literature:

With hydrogenchloride; Ambient temperature;

DOI:10.1021/jm00122a003

Reference yield: 87.0%

N-<1(S)-(benzyloxycarbonyl)-3-phenylpropyl>-L-alanine tert-butyl ester (117560-14-2) → (2S)-2-amino>propionic acid (89371-42-6)

Guidance literature:

With trifluoroacetic acid; for 5h; Ambient temperature;

DOI:10.1021/jm00105a066

Reference yield:

2-bromo-4-phenyl butanoic acid (16503-46-1) → (2S)-2-amino>propionic acid (89371-42-6)

Guidance literature:

Multi-step reaction with 7 steps

1: 28percent aq. NH₃ / 168 h / Ambient temperature

3: CoCl₂ / H₂O / 72 h / 37 °C / aminoacylase (from Aspergillus oryzae); pH 7

4: benzene / 6 h / Heating

5: 40.8 percent / K₂CO₃ / dimethylsulfoxide / 30 h / Ambient temperature

6: ethyl acetate; diisopropyl ether

7: 94 percent / 15percent HCl/dioxane / Ambient temperature

With hydrogenchloride; ammonium hydroxide; potassium carbonate; In di-isopropyl ether; water; dimethyl sulfoxide; ethyl acetate; benzene;

DOI:10.1021/jm00122a003

upstream raw materials:

N-<1(S)-(benzyloxycarbonyl)-3-phenylpropyl>-L-alanine tert-butyl ester

(S)-2-((S)-1-tert-Butoxycarbonyl-ethylamino)-4-phenyl-butyric acid benzyl ester; compound with (Z)-but-2-enedioic acid

2-bromo-4-phenyl butanoic acid

D,L-homophenylalanine

Downstream raw materials:

tert-butyl (4S)-3-<(2S)-2-propionyl>-1-methyl-2-oxoimidazolidine-4-carboxylate hydrogen maleate

(4S)-1-methyl-3-{(2S)-2-[N-((1S)-1-carboxy-3-phenylpropyl)amino]propionyl}-2-oxo-imidazolidine-4-carboxylic acid

tert-butyl (4S)-1-methyl-3-{(2S)-2-[N-((1S)-1-benzyloxycarbonyl-3-phenylpropyl)amino]propionyl}-2-oxo-imidazolidine-4-carboxylate

(S)-3-[(S)-2-((S)-1-Carboxy-3-phenyl-propylamino)-propionyl]-2-oxo-imidazolidine-4-carboxylic acid

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