2-(4-Chloro-2-cyclohexylphenoxy)acetic acid

Base Information

• Chemical Name: 2-(4-Chloro-2-cyclohexylphenoxy)acetic acid
• CAS No.: 19774-97-1
• Molecular Formula: C14H17ClO3
• Molecular Weight: 268.736
• NSC Number: 26127
• DSSTox Substance ID: DTXSID10282496
• Wikidata: Q82016786
• ChEMBL ID: CHEMBL245908

Synonyms:2-(4-chloro-2-cyclohexylphenoxy)acetic acid;19774-97-1;(4-chloro-2-cyclohexylphenoxy)acetic acid;MLS002639096;CHEMBL245908;NSC26127;C14H17ClO3;SCHEMBL4888054;DTXSID10282496;HMS3089F12;BDBM50213909;MFCD09048751;NSC-26127;AKOS000132678;AS-9826;4-chloro-2-cyclohexylphenoxy-acetic acid;PD179898;SMR001548547;CS-0249372;EN300-43291;Z228583484

Chemical Property of 2-(4-Chloro-2-cyclohexylphenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 3.67E-07mmHg at 25°C
• Boiling Point: 401.3°C at 760 mmHg
• Flash Point: 196.5°C
• Density: 1.234g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 268.0866221
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=C(C=CC(=C2)Cl)OCC(=O)O

Technology Process of 2-(4-Chloro-2-cyclohexylphenoxy)acetic acid

There total 3 articles about 2-(4-Chloro-2-cyclohexylphenoxy)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: 85.0%

C16H21ClO3 (1011486-37-5) → (4-chloro-2-cyclohexyl-phenoxy)-acetic acid (19774-97-1)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃;

DOI:10.1016/j.bmcl.2007.05.019

Reference yield:

4-chloro-2-cyclohexylphenol (13081-17-9) + ethyl bromoacetate (105-36-2) → (4-chloro-2-cyclohexyl-phenoxy)-acetic acid (19774-97-1)

Guidance literature:

With ethanol; potassium carbonate; Hydrolyse des gebildeten Esters;

DOI:10.1021/ja01195a604

Reference yield:

→ (4-chloro-2-cyclohexyl-phenoxy)-acetic acid (19774-97-1)

Guidance literature:

4-Chlor-2-cyclohexyl-phenol;

upstream raw materials:

4-chloro-2-cyclohexylphenol

ethyl bromoacetate

C₁₆H₂₁ClO₃

Downstream raw materials:

C₁₅H₂₀ClNO₄S

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