N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine

Base Information

Chemical Name:N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine
CAS No.:80952-40-5
Molecular Formula:C₂₀H₂₀N₂O₆
Molecular Weight:384.389
Hs Code.:
NSC Number:332542
ChEMBL ID:CHEMBL491735

Synonyms:NSC332542;NSC 332542;80952-40-5;NSC-332542;N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine;MLS003170817;N-Caffeoylglycine-L-phenylalanine;N-[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]glycylphenylalanine;L-phenylalanine der.;CHEMBL491735;2-[[2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenyl-propanoic acid

Suppliers and Price of N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine

Chemical Property:

Vapor Pressure:1.54E-26mmHg at 25°C
Boiling Point:793.4°Cat760mmHg
Flash Point:433.6°C
Density:1.385g/cm³
XLogP3:1.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:384.13213636
Heavy Atom Count:28
Complexity:573

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CNC(=O)C=CC2=CC(=C(C=C2)O)O
Isomeric SMILES:C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CNC(=O)/C=C/C2=CC(=C(C=C2)O)O

Technology Process of N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine

There total 4 articles about N-((2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl)glycylphenylalanine 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: 85.0%

: 89662-06-6
(S)-2-{2-[(E)-3-(3,4-Bis-ethoxycarbonyloxy-phenyl)-acryloylamino]-acetylamino}-3-phenyl-propionic acid

: 62430-45-9,80952-40-5
N-caffeoylglycyl-L-phenylalanine

Guidance literature:: With hydrazine; In ethanol; for 2h;

Reference yield:

: 331-39-5,501-16-6
caffeic acid

: 62430-45-9,80952-40-5
N-caffeoylglycyl-L-phenylalanine

Guidance literature:: Multi-step reaction with 4 steps

1: 85 percent / 1 M NaOH / 2 h

2: 83 percent / DCCD / dioxane / 5 h / Ambient temperature

3: 68 percent / NaHCO₃ / H₂O; dioxane / 24 h

4: 85 percent / hydrazine / ethanol / 2 h

With sodium hydroxide; sodium hydrogencarbonate; dicyclohexyl-carbodiimide; hydrazine; In 1,4-dioxane; ethanol; water;

Reference yield:

: 62430-37-9
O,O-diethoxycarbonylcaffeic acid

: 62430-45-9,80952-40-5
N-caffeoylglycyl-L-phenylalanine

Guidance literature:: Multi-step reaction with 3 steps

1: 83 percent / DCCD / dioxane / 5 h / Ambient temperature

2: 68 percent / NaHCO₃ / H₂O; dioxane / 24 h

3: 85 percent / hydrazine / ethanol / 2 h

With sodium hydrogencarbonate; dicyclohexyl-carbodiimide; hydrazine; In 1,4-dioxane; ethanol; water;