2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid

Base Information

• Chemical Name: 2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
• CAS No.: 104023-75-8
• Molecular Formula: C12H12Cl2O3
• Molecular Weight: 275.13
• DSSTox Substance ID: DTXSID90544266
• Nikkaji Number: J60.990K
• Mol file: 104023-75-8.mol

Synonyms:104023-75-8;2,2-DICHLORO-1-(4-ETHOXYPHENYL)CYCLOPROPANECARBOXYLIC ACID;2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid;2,2-Dichloro-1-(4'-ethoxyphenyl)cyclopropane-1-carboxylic acid;63935-26-2;SCHEMBL2357779;DTXSID90544266;EN300-366651;A846432;1-p-ethoxyphenyl-2,2-dichlorocyclopropane-1-carboxylic acid;2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylicacid

Chemical Property of 2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 7.7E-07mmHg at 25°C
• Refractive Index: 1.59
• Boiling Point: 391.8 °C at 760 mmHg
• Flash Point: 190.7 °C
• PSA: 46.53000
• Density: 1.41 g/cm³
• LogP: 2.98530
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 274.0163496
• Heavy Atom Count: 17
• Complexity: 311

Purity/Quality:

98%Min ^*data from raw suppliers

2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C2(CC2(Cl)Cl)C(=O)O

Technology Process of 2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid

There total 5 articles about 2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylic 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: 95.0%

1-(4-ethoxyphenyl)-2,2-dichlorocyclopropane-1-carboxylic acid methyl ester (101492-41-5,928118-58-5) → 1-(4'-ethoxyphenyl)-2,2-dichlorocyclopropane-1-carboxylic acid (104023-75-8,63935-26-2)

Guidance literature:

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

DOI:10.1002/adsc.200505450

Reference yield:

Phenetole (103-73-1) → 1-(4'-ethoxyphenyl)-2,2-dichlorocyclopropane-1-carboxylic acid (104023-75-8,63935-26-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 85 percent / Al₂O₃ / TiCl₄ / CH₂Cl₂ / 8 h / -15 °C

2: 100 percent / p-TsOH; hydroquinone / toluene / 3 h / Heating

3: 4.95 g / KF; Al₂O₃ / acetonitrile; H₂O / 20 °C

4: 95 percent / aq. NaOH / methanol / 3 h / Heating

With aluminum oxide; potassium fluoride; sodium hydroxide; toluene-4-sulfonic acid; hydroquinone; titanium tetrachloride; In methanol; dichloromethane; water; toluene; acetonitrile; 1: Friedel-Crafts reaction;

DOI:10.1002/adsc.200505450

Reference yield:

2-(4-ethoxy-phenyl)-acrylic acid methyl ester (928118-57-4) → 1-(4'-ethoxyphenyl)-2,2-dichlorocyclopropane-1-carboxylic acid (104023-75-8,63935-26-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 4.95 g / KF; Al₂O₃ / acetonitrile; H₂O / 20 °C

2: 95 percent / aq. NaOH / methanol / 3 h / Heating

With aluminum oxide; potassium fluoride; sodium hydroxide; In methanol; water; acetonitrile;

DOI:10.1002/adsc.200505450

upstream raw materials:

1-(4-ethoxyphenyl)-2,2-dichlorocyclopropane-1-carboxylic acid methyl ester

2-(4-ethoxy-phenyl)-acrylic acid methyl ester

methyl 2-(4-ethoxyphenyl)lactate

Phenetole

Downstream raw materials:

1-(4-ethoxyphenyl)-2,2-dichlorocyclopropane-1-carboxylic acid chloride

(+)-(S)-2,2-dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylic acid

(-)-(R)-2,2-dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylic acid

3-phenoxybenzyl 2-chloro-1-(4'-ethoxyphenyl)cyclopropane-1-carboxylate