N-(E)-Caffeoyl-glycine

Base Information

• Chemical Name: N-(E)-Caffeoyl-glycine
• CAS No.: 62430-42-6
• Molecular Formula: C11H11NO5
• Molecular Weight: 237.212
• NSC Number: 332376
• UNII: S628JQ03WG
• DSSTox Substance ID: DTXSID00422223
• Nikkaji Number: J1.256.263B,J1.685.665G
• Wikidata: Q27288711
• ChEMBL ID: CHEMBL243178

Synonyms:N-(E)-Caffeoyl-glycine;N-Caffeoylglycine;UNII-S628JQ03WG;S628JQ03WG;62430-42-6;Glycine, N-((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-;Glycine, N-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-, (E)-;Glycine, N-((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)-;CHEMBL243178;70120-43-3;Glycine, N-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-;NSC332376;DTXSID00422223;2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]acetic acid;BDBM50476596;NSC-332376;(3,4-Dihydroxy-trans-cinnamoylamino)acetic acid;Q27288711;N-(2-Hydroxy-2-oxoethyl)-3-(3,4-dihydroxyphenyl)propenamide

Chemical Property of N-(E)-Caffeoyl-glycine

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 237.06372245
• Heavy Atom Count: 17
• Complexity: 315

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)NCC(=O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1/C=C/C(=O)NCC(=O)O)O)O

Technology Process of N-(E)-Caffeoyl-glycine

There total 9 articles about N-(E)-Caffeoyl-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: 98.0%

N-(O,O-diethoxycarbonylceffeoyl)-glycine (89662-05-5) → N-caffeoylglycine (62430-42-6)

Guidance literature:

With hydrazine; In ethanol; for 2h;

Reference yield: 31.0%

[3-(3,4-dihydroxy-phenyl)-acryloylamino]-acetic acid methyl ester → N-caffeoylglycine (62430-42-6)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 0.666667h;

DOI:10.1016/j.ejmech.2007.02.016

Reference yield:

C16H17NO7 (1440433-89-5) → N-caffeoylglycine (62430-42-6)

Guidance literature:

With methanol; sodium hydroxide; In water; at 20 ℃; for 0.25h;

DOI:10.1016/j.bmcl.2013.04.033

upstream raw materials:

N-(O,O-diethoxycarbonylceffeoyl)-glycine

caffeic acid

O,O-diethoxycarbonylcaffeic acid

(E)-3-(3,4-Bis-ethoxycarbonyloxy-phenyl)-acrylic acid 2,5-dioxo-pyrrolidin-1-yl ester

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