1-(4-Methoxyphenyl)cyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)cyclohexanecarboxylic acid
• CAS No.: 7469-83-2
• Molecular Formula: C14H18O3
• Molecular Weight: 234.295
• Hs Code.: 2918990090
• European Community (EC) Number: 231-266-8
• NSC Number: 402220
• DSSTox Substance ID: DTXSID10225666
• Nikkaji Number: J278.875F
• Wikidata: Q83104737
• Mol file: 7469-83-2.mol

Synonyms:7469-83-2;1-(4-Methoxyphenyl)cyclohexanecarboxylic acid;1-(4-Methoxyphenyl)cyclohexane-1-carboxylic acid;1-(4-Methoxyphenyl)-1-cyclohexanecarboxylic acid;Cyclohexanecarboxylic acid, 1-(4-methoxyphenyl)-;EINECS 231-266-8;MFCD00001462;NSC402220;SCHEMBL503877;CYCLOHEXANECARBOXYLIC ACID,1-(4-METHOXYPHENYL)-;DTXSID10225666;STK503653;AKOS005171621;AB90947;NSC 402220;NSC-402220;TS-03309;1-(4-Methoxyphenyl)cyclohexanecarboxylicacid;CS-0252102;FT-0608622;EN300-58989;Cyclohexanecarboxylicacid,1-(4-methoxyphenyl)-;F20002;1-(4-Methoxyphenyl)cyclohexanecarboxylic acid #;A936184;1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBOXYLICACID;Z361883614;1-(4-METHOXYPHENYL)-1-CYCLOHEXANE CARBOXYLIC ACID

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

Chemical Property:

• Appearance/Colour: beige to light grey powder
• Vapor Pressure: 9E-07mmHg at 25°C
• Melting Point: 172-177 °C
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 389.7 °C at 760 mmHg
• PKA: 4.49±0.20(Predicted)
• Flash Point: 145.8 °C
• PSA: 46.53000
• Density: 1.141 g/cm³
• LogP: 2.98170
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 234.125594432
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2(CCCCC2)C(=O)O

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

There total 4 articles about 1-(4-Methoxyphenyl)cyclohexanecarboxylic 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%

1-(4-methoxyphenyl)cyclohexane carbonitrile (36263-51-1) → 1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid (7469-83-2)

Guidance literature:

1-(4-methoxyphenyl)cyclohexane carbonitrile; With sodium hydroxide; dihydrogen peroxide; In 1,3-dioxane; water; for 96h; Heating / reflux;

With hydrogenchloride; In 1,3-dioxane; water; pH=1;

Reference yield:

(1-chloro-cyclohexyl)-(4-methoxy-phenyl)-ketone (57992-35-5) → 1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid (7469-83-2) + 1-hydroxycyclohexyl-(4-methoxyphenyl)methanone (7469-82-1)

Guidance literature:

With sodium hydroxide; diethyl ether;

Reference yield:

→ 1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid (7469-83-2)

Guidance literature:

upstream raw materials:

(1-chloro-cyclohexyl)-(4-methoxy-phenyl)-ketone

1-(4-methoxyphenyl)cyclohexane carbonitrile

Downstream raw materials:

1-(4-methoxyphenyl)cyclohexanecarbonyl chloride

6β-[1-(4-methoxy-phenyl)-cyclohexanecarbonylamino]-penicillanic acid

Refernces

• 1、 -. "CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS". Page 103; 104; 115; 71; 75. . Retrieved 2008/06/13.