D-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-

Base Information

• Chemical Name: D-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-
• CAS No.: 127852-94-2
• Molecular Formula: C₁₆H₂₁NO₃
• Molecular Weight: 275.348
• Nikkaji Number: J1.339.848H
• ChEMBL ID: CHEMBL3717744
• Mol file: 127852-94-2.mol

Synonyms:trans-N-Cinnamoyl-D-leucine methyl ester;D-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-;(E)-N-(1-Oxo-3-phenyl-2-propenyl)-D-leucine methyl ester;127852-94-2;SCHEMBL6015463;CHEMBL3717744;BDBM253790;N-trans-Cinnamoyl-D-leucine methyl ester;LS-87857;US9459250, D11

Chemical Property of D-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-

Chemical Property:

• Vapor Pressure: 2.74E-08mmHg at 25°C
• Boiling Point: 450°Cat760mmHg
• Flash Point: 225.9°C
• Density: 1.075g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 275.15214353
• Heavy Atom Count: 20
• Complexity: 344

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)OC)NC(=O)C=CC1=CC=CC=C1
• Isomeric SMILES: CC(C)C[C@H](C(=O)OC)NC(=O)/C=C/C1=CC=CC=C1

Technology Process of D-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-

There total 1 articles about D-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- 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: 57.5%

(E)-3-phenylacrylic acid (140-10-3) + D-leucine methyl ester hydrochloride (5845-53-4,6322-53-8,7517-19-3) → N-cinnamoyl-D-leucine methyl ester (87784-11-0,127852-93-1,127852-94-2)

Guidance literature:

With triethylamine; isobutyl chloroformate; In acetonitrile; Ambient temperature;

DOI:10.1007/BF00764814

Reference yield: 62.5%

N-cinnamoyl-D-leucine methyl ester (87784-11-0,127852-93-1,127852-94-2) → N-cinnamoyl-D-leucinol (127750-61-2,127852-95-3)

Guidance literature:

With sodium tetrahydroborate; lithium chloride; In tetrahydrofuran; for 15h; Ambient temperature;

DOI:10.1007/BF00764814

upstream raw materials:

(E)-3-phenylacrylic acid

D-leucine methyl ester hydrochloride

Downstream raw materials:

N-cinnamoyl-D-leucinol