2-[(Phenylacetyl)amino]prop-2-enoic acid

Base Information

• Chemical Name: 2-[(Phenylacetyl)amino]prop-2-enoic acid
• CAS No.: 25637-52-9
• Molecular Formula: C11H11 N O3
• Molecular Weight: 205.213
• NSC Number: 126815
• DSSTox Substance ID: DTXSID50298894
• Nikkaji Number: J873.526C
• Wikidata: Q82040995
• Mol file: 25637-52-9.mol

Synonyms:25637-52-9;2-[(phenylacetyl)amino]prop-2-enoic acid;2-[(2-phenylacetyl)amino]prop-2-enoic acid;NSC126815;phenylacetamido acrylic acid;SCHEMBL6186907;DTXSID50298894;NSC-126815

Chemical Property of 2-[(Phenylacetyl)amino]prop-2-enoic acid

Chemical Property:

• Vapor Pressure: 9.25E-11mmHg at 25°C
• Boiling Point: 498.6°Cat760mmHg
• Flash Point: 255.3°C
• Density: 1.227g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 205.07389321
• Heavy Atom Count: 15
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(C(=O)O)NC(=O)CC1=CC=CC=C1

Technology Process of 2-[(Phenylacetyl)amino]prop-2-enoic acid

There total 9 articles about 2-[(Phenylacetyl)amino]prop-2-enoic acid 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:

N-(Phenylacetyl)dehydroalanine methyl ester (21149-16-6) → 2-phenylacetamidoacrylic acid (25637-52-9)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane;

DOI:10.1055/s-1977-24439

Reference yield:

N-Phenylacetyl alanine methyl ester (41109-05-1,127043-26-9,64562-94-3) → 2-phenylacetamidoacrylic acid (25637-52-9)

Guidance literature:

Multi-step reaction with 3 steps

1: tBuOCl / methanol

2: Et₃N / CH₂Cl₂

3: aq. NaOH / dioxane

With sodium hydroxide; tert-butylhypochlorite; triethylamine; In 1,4-dioxane; methanol; dichloromethane;

DOI:10.1055/s-1977-24439

Reference yield:

C12H14ClNO3 (64562-97-6) → 2-phenylacetamidoacrylic acid (25637-52-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂

2: aq. NaOH / dioxane

With sodium hydroxide; triethylamine; In 1,4-dioxane; dichloromethane;

DOI:10.1055/s-1977-24439

upstream raw materials:

2,2-bis-(2-phenyl-acetylamino)-propionic acid

acetic acid

2-oxo-propionic acid

Benzeneacetamide

Downstream raw materials:

2-benzylidene-4-methyl-2H-oxazol-5-one

2-benzylidene-4-bromomethyl-2H-oxazol-5-one

3-bromo-N-phenylacetyl-alanine

3-bromo-2-(2-phenyl-acetylamino)-acrylic acid