(5-Acetyl-2-methoxyphenyl)acetic acid

Base Information

• Chemical Name: (5-Acetyl-2-methoxyphenyl)acetic acid
• CAS No.: 116296-30-1
• Molecular Formula: C11H12 O4
• Molecular Weight: 208.214
• DSSTox Substance ID: DTXSID30368908
• Wikidata: Q82155796
• Mol file: 116296-30-1.mol

Synonyms:(5-acetyl-2-methoxyphenyl)acetic acid;116296-30-1;2-(5-acetyl-2-methoxyphenyl)acetic acid;SCHEMBL7093110;DTXSID30368908;ZIQLGQMVEOXQSY-UHFFFAOYSA-N;MFCD06373492;AKOS000533209;2-(5-acetyl-2-methoxyphenyl)aceticacid;Benzeneacetic acid, 5-acetyl-2-methoxy-;BS-19273;(5-ACETYL-2-METHOXYPHENYL)ACETICACID;FT-0743121;EN300-11712;SR-01000062025;SR-01000062025-1;Z57980685

Chemical Property of (5-Acetyl-2-methoxyphenyl)acetic acid

Chemical Property:

• Vapor Pressure: 3.24E-07mmHg at 25°C
• Boiling Point: 402.9°C at 760 mmHg
• Flash Point: 160.1°C
• PSA: 63.60000
• Density: 1.207g/cm³
• LogP: 1.52490
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

2-(5-Acetyl-2-methoxyphenyl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)OC)CC(=O)O

Technology Process of (5-Acetyl-2-methoxyphenyl)acetic acid

There total 10 articles about (5-Acetyl-2-methoxyphenyl)acetic 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: 89.0%

ethyl 2-(5-acetyl-2-methoxyphenyl)acetate → (5-acetyl-2-methoxyphenyl)acetic Acid (116296-30-1)

Guidance literature:

ethyl 2-(5-acetyl-2-methoxyphenyl)acetate; With sodium hydroxide; In ethanol; for 6h; Reflux;

With hydrogenchloride; In ethanol; pH=1; Cooling with ice;

DOI:10.1016/j.tetlet.2014.11.015

Reference yield:

5-acetyl-2-methoxybenzyl nitrite → (5-acetyl-2-methoxyphenyl)acetic Acid (116296-30-1)

Guidance literature:

With concentrated H₂SO₄; In water; acetic acid;

Reference yield:

2-methoxyphenylacetic acid (93-25-4) → (5-acetyl-2-methoxyphenyl)acetic Acid (116296-30-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuric acid / 6 h / Reflux

2.1: aluminum (III) chloride / dichloromethane / 20 °C

3.1: sodium hydroxide / ethanol / 6 h / Reflux

3.2: pH 1 / Cooling with ice

With aluminum (III) chloride; sulfuric acid; sodium hydroxide; In ethanol; dichloromethane;

DOI:10.1016/j.tetlet.2014.11.015

upstream raw materials:

(5-acetyl-2-methoxy-phenyl)-acetonitrile

1-(3-chloromethyl-4-hydroxyphenyl)ethanone

1-[3-(chloromethyl)-4-methoxyphenyl]-1-ethanone

1-(4-methoxyphenyl)ethanone

Downstream raw materials:

homogentisic acid

(5-acetyl-2-hydroxyphenyl)acetic acid

2-methoxy-5-hydroxyphenylacetic acid

(5-carboxy-2-methoxy-phenyl)-acetic acid