alpha-(Hydroxyimino)-4-methoxybenzenepropanoic acid

Base Information

• Chemical Name: alpha-(Hydroxyimino)-4-methoxybenzenepropanoic acid
• CAS No.: 3682-16-4
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• DSSTox Substance ID: DTXSID301243921
• Mol file: 3682-16-4.mol

Synonyms:3682-16-4;CBDivE_011637;SCHEMBL7824048;DTXSID301243921;alpha-(Hydroxyimino)-4-methoxybenzenepropanoic acid

Chemical Property of alpha-(Hydroxyimino)-4-methoxybenzenepropanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 437.7°Cat760mmHg
• Flash Point: 218.5°C
• Density: 1.25g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CC(=NO)C(=O)O

Technology Process of alpha-(Hydroxyimino)-4-methoxybenzenepropanoic acid

There total 7 articles about alpha-(Hydroxyimino)-4-methoxybenzenepropanoic 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: 71.0%

2-hydroxy-3-(4-methoxyphenyl)acrylic acid (68383-86-8) → 2-(hydroxyimino)-3-(4-methoxyphenyl)propanoic acid (3682-16-4)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In water; at 20 ℃; for 12h;

DOI:10.1016/j.bmc.2016.04.037

Reference yield:

3-(4-methoxyphenyl)-2-oxopropanoic acid (28030-16-2) → 2-(hydroxyimino)-3-(4-methoxyphenyl)propanoic acid (3682-16-4)

Guidance literature:

With hydroxylamine;

DOI:10.1021/ja01256a042

Reference yield:

2-acetamido-3-(4-methoxyphenyl)-2-propenoic acid (68280-85-3) → 2-(hydroxyimino)-3-(4-methoxyphenyl)propanoic acid (3682-16-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous hydrochloric acid

2: hydroxylamine

With hydrogenchloride; hydroxylamine;

DOI:10.1021/ja01256a042

upstream raw materials:

n-Butyl nitrite

2-(4-methoxy-benzyl)-3-oxo-butyric acid ethyl ester

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

2-acetamido-3-(4-methoxyphenyl)-2-propenoic acid

Downstream raw materials:

O-methyl tyrosine

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

p-methoxybenzylnitrile

1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone

Refernces