(Z)-2-Acetamido-3-(4-methoxyphenyl)acrylic acid

Base Information

• Chemical Name: (Z)-2-Acetamido-3-(4-methoxyphenyl)acrylic acid
• CAS No.: 68280-85-3
• Molecular Formula: C12H13 N O4
• Molecular Weight: 235.24
• Hs Code.: 2924299090
• NSC Number: 165186
• DSSTox Substance ID: DTXSID60420745
• Nikkaji Number: J1.164.284E,J494.769J
• Wikidata: Q82232042
• Mol file: 68280-85-3.mol

Synonyms:73549-09-4;(Z)-2-ACETAMIDO-3-(4-METHOXYPHENYL)ACRYLIC ACID;68280-85-3;(Z)-2-(Acetylamino)-3-(4-methoxyphenyl)-2-propenoic acid;(Z)-2-acetamido-3-(4-methoxyphenyl)prop-2-enoic acid;NSC165186;(Z)-2-Acetamido-3-(4-methoxyphenyl)acrylicacid;(2Z)-2-acetamido-3-(4-methoxyphenyl)prop-2-enoic acid;DTXSID60420745;MFCD00993404;AKOS000319707;NSC-165186;BB 0218069;(E)-2-acetamido-3-(4-methoxyphenyl)acrylic acid;(Z)-2-acetamido-3-(4-methoxyphenyl)-acrylic acid;J-501845;N-Acetyl-alpha,beta-didehydro-4-methoxyphenylalanine;(Z)-3-(4-Methoxyphenyl)-2-(acetylamino)acrylic acid

Chemical Property of (Z)-2-Acetamido-3-(4-methoxyphenyl)acrylic acid

Chemical Property:

• Vapor Pressure: 6.19E-11mmHg at 25°C
• Boiling Point: 502.9°Cat760mmHg
• Flash Point: 257.9°C
• PSA: 75.63000
• Density: 1.252g/cm³
• LogP: 1.64770
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 235.08445790
• Heavy Atom Count: 17
• Complexity: 317

Purity/Quality:

98%min ^*data from raw suppliers

2-(Acetamido)-3-(4-methoxyphenyl)acrylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(=CC1=CC=C(C=C1)OC)C(=O)O
• Isomeric SMILES: CC(=O)N/C(=C\C1=CC=C(C=C1)OC)/C(=O)O

Technology Process of (Z)-2-Acetamido-3-(4-methoxyphenyl)acrylic acid

There total 4 articles about (Z)-2-Acetamido-3-(4-methoxyphenyl)acrylic 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: 93.0%

4-[(4-methoxyphenyl)methylene]-2-methyl-5(4H)-oxazolone (71198-72-6,31730-24-2) → 2-acetamido-3-(4-methoxyphenyl)-2-propenoic acid (68280-85-3)

Guidance literature:

With water; In acetone; for 10h; Reflux;

DOI:10.1016/j.ejmech.2014.05.020

Reference yield:

4-methoxy-benzaldehyde (123-11-5) → 2-acetamido-3-(4-methoxyphenyl)-2-propenoic acid (68280-85-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate; acetic anhydride / 3.75 h / 40 - 135 °C

2: water; acetone / 6 h / Reflux

With sodium acetate; acetic anhydride; In water; acetone;

DOI:10.1080/00397911.2012.748075

Reference yield:

→ 2-acetamido-3-(4-methoxyphenyl)-2-propenoic acid (68280-85-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01256a042

upstream raw materials:

4-[(4-methoxyphenyl)methylene]-2-methyl-5(4H)-oxazolone

C₁₂H₁₃NO₂

acetone

4-methoxy-benzaldehyde

Downstream raw materials:

3-(4-methoxyphenyl)-2-oxopropanoic acid

6-(4-methoxybenzyl)-3-(3-methyl-4-hydroxyphenyl)thiazolo[3,2-b]-1,2,4-triazin-7-one

6-(4-methoxybenzyl)-3-{4-[2-(dimethylamino)ethoxy]phenyl}-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one

6-(4-methoxybenzyl)-3-{4-[2-(1-piperidinyl)ethoxyl]phenyl}-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one