1-(4-Methoxyphenyl)cyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid
• CAS No.: 16728-01-1
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• Hs Code.: 29189990
• European Community (EC) Number: 240-788-5
• NSC Number: 158249
• DSSTox Substance ID: DTXSID30168263
• Nikkaji Number: J236.841B
• Wikidata: Q27452324
• Mol file: 16728-01-1.mol

Synonyms:1-(4-methoxyphenyl)cyclopropanecarboxylic acid;16728-01-1;1-(4-Methoxyphenyl)cyclopropane-1-carboxylic acid;1-(4-METHOXYPHENYL)-1-CYCLOPROPANECARBOXYLIC ACID;MFCD00019223;CYCLOPROPANECARBOXYLIC ACID, 1-(4-METHOXYPHENYL)-;1-(4-Methoxy-phenyl)-cyclopropanecarboxylic acid;EINECS 240-788-5;1-(4-Methoxyphenyl)-1-Cyclopropane- Carboxylic Acid;NSC158249;SCHEMBL301027;DTXSID30168263;BBL100054;STL185705;AKOS000264724;AB01256;AM80887;CS-W005131;NSC 158249;NSC-158249;SY027421;TS-02710;FT-0637409;M2837;(4-methoxy-phenyl)-cyclopropanecarboxylic acid;1-(4-methoxyphenyl) cyclopropanecarboxylic acid;1-(4-methoxyphenyl)-cyclopropanecarboxylic acid;1-(4-methoxyphenyl)cyclopropane carboxylic acid;Cyclopropanecarboxylicacid,1-(4-methoxyphenyl)-;EN300-102047;1-(4-methoxyphenyl)-1-cyclopropane carboxylic acid;Q27452324;Z361883608;1PJ

Chemical Property of 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid

Chemical Property:

• Appearance/Colour: White to almost white crystalline powder
• Vapor Pressure: 1.99E-05mmHg at 25°C
• Melting Point: 127-132 °C
• Refractive Index: 1.5340 (estimate)
• Boiling Point: 347.7 °C at 760 mmHg
• PKA: 4.37±0.20(Predicted)
• Flash Point: 138.6 °C
• PSA: 46.53000
• Density: 1.263 g/cm³
• LogP: 1.81140
• Storage Temp.: Room temperature.
• Solubility.: soluble in Methanol
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-Methoxyphenyl)cyclopropanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-25-24

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2(CC2)C(=O)O

Technology Process of 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid

There total 6 articles about 1-(4-Methoxyphenyl)cyclopropanecarboxylic 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: 76.7%

1-(4-methoxyphenyl)cyclopropane-1-carbonitrile (16728-00-0) → 1-(4-methoxyphenyl)-1-cyclopropanecarboxylic acid (16728-01-1)

Guidance literature:

With potassium hydroxide; In diethylene glycol; for 8h; Heating;

DOI:10.1007/BF00765910

Reference yield: 64.0%

1-(4-Methoxy-phenyl)-cyclopropanecarboxylic acid ethyl ester (104173-40-2) → 1-(4-methoxyphenyl)-1-cyclopropanecarboxylic acid (16728-01-1)

Guidance literature:

With potassium hydroxide; In methanol; for 3h; Heating;

Reference yield:

p-methoxybenzylnitrile (104-47-2) → 1-(4-methoxyphenyl)-1-cyclopropanecarboxylic acid (16728-01-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) sodium amide / 1.) toluene, heating, 1 h, 2.) overnight; heating, 6 h

2: 76.7 percent / KOH / bis-(2-hydroxy-ethyl) ether / 8 h / Heating

With potassium hydroxide; sodium amide; In diethylene glycol;

DOI:10.1007/BF00765910

upstream raw materials:

1-(4-methoxyphenyl)cyclopropane-1-carbonitrile

1-(4-Methoxy-phenyl)-cyclopropanecarboxylic acid ethyl ester

2-(4-methoxyphenyl)propenoic acid ethyl eter

2,2-Dibromo-1-(4-methoxy-phenyl)-cyclopropanecarboxylic acid ethyl ester

Downstream raw materials:

1-(4-methoxyphenyl)-1-cyclopropane carboxylic acid chloride

(6R,7R)-7-{[1-(4-Methoxy-phenyl)-cyclopropanecarbonyl]-amino}-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(2S,5R,6R)-6-{[1-(4-Methoxy-phenyl)-cyclopropanecarbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid

1-(4-methoxy-phenyl)-cyclopropanecarboxylic acid methylamide

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