Acetic acid, (2,3-dichloro-4-(1-oxobutyl)phenoxy)-

Base Information

• Chemical Name: Acetic acid, (2,3-dichloro-4-(1-oxobutyl)phenoxy)-
• CAS No.: 1217-67-0
• Molecular Formula: C12H12 Cl2 O4
• Molecular Weight: 291.131
• Hs Code.: 2918990090
• European Community (EC) Number: 601-806-0
• UNII: 7NVU96PZ4Q
• DSSTox Substance ID: DTXSID60153344
• Wikidata: Q72465839
• Mol file: 1217-67-0.mol

Synonyms:1217-67-0;2-(4-butanoyl-2,3-dichlorophenoxy)acetic acid;Acetic acid, (2,3-dichloro-4-(1-oxobutyl)phenoxy)-;BRN 1914291;(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid;7NVU96PZ4Q;4-Butyryl-2,3-dichlorophenoxyacetic acid;2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid;Acetic acid, [2,3-dichloro-4-(1-oxobutyl)phenoxy]-;Acetic acid, 2-[2,3-dichloro-4-(1-oxobutyl)phenoxy]-;ACETIC ACID, 2-(2,3-DICHLORO-4-(1-OXOBUTYL)PHENOXY)-;UNII-7NVU96PZ4Q;SCHEMBL20088746;DTXSID60153344;(4-Butanoyl-2,3-dichlorophenoxy)acetic acid;ETACRYNIC ACID IMPURITY A [EP IMPURITY]

Chemical Property of Acetic acid, (2,3-dichloro-4-(1-oxobutyl)phenoxy)-

Chemical Property:

• Vapor Pressure: 1.32E-08mmHg at 25°C
• Melting Point: 110.5-111.5℃
• Boiling Point: 442.4°Cat760mmHg
• Flash Point: 221.4°C
• PSA: 63.60000
• Density: 1.366g/cm³
• LogP: 3.43960
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 290.0112642
• Heavy Atom Count: 18
• Complexity: 309

Purity/Quality:

99%, ^*data from raw suppliers

(2,3-Dichloro-4-butyrylphenoxy)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl
• Uses: (2,3-Dichloro-4-butyrylphenoxy)acetic Acid is a impurity of Ethacrynic acid (E676000), which is a diuretic used to treat high blood pressure and swelling caused by congestive heart failure, liver failure and kidney failure. (2,3-Dichloro-4-butyrylphenoxy)acetic Acid is also used pharmaceutically and in agriculture.

Technology Process of Acetic acid, (2,3-dichloro-4-(1-oxobutyl)phenoxy)-

There total 4 articles about Acetic acid, (2,3-dichloro-4-(1-oxobutyl)phenoxy)- 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%

2',3'-dichloro-4'-hydroxybutyrophenone (2350-46-1) + ethyl bromoacetate (105-36-2) → <2,3-dichloro-4-(1-oxobutyl)phenyloxy>acetic acid (1217-67-0)

Guidance literature:

2',3'-dichloro-4'-hydroxybutyrophenone; With potassium carbonate; potassium iodide; In acetone; for 0.5h;

ethyl bromoacetate; In acetone; at 60 ℃; for 4h;

With potassium hydroxide; In ethanol; water; at 20 ℃; for 2h;

Reference yield:

ethacrynic acid (58-54-8) → <2,3-dichloro-4-(1-oxobutyl)phenyloxy>acetic acid (1217-67-0)

Guidance literature:

In hydrogenchloride; at 60 ℃; for 720h;

DOI:10.1002/jps.2600740226

Reference yield:

ethacrynic acid (58-54-8) → <2,3-dichloro-4-(1-oxobutyl)phenyloxy>acetic acid (1217-67-0) + 3,5-Bis(2,3-dichlor-4-carboxymethylenoxybenzoyl)heptan (71545-13-6) + <2,3-dichloro-4-(2-hydroxymethyl-1-oxobutyl)phenyloxy>acetic acid (95772-54-6)

Guidance literature:

In water; at 60 ℃; degradation; pH 2; other pH;

DOI:10.1002/jps.2600740226

upstream raw materials:

ethacrynic acid

2',3'-dichloro-4'-hydroxybutyrophenone

ethyl bromoacetate

Downstream raw materials:

ethacrynic acid

1-(2,3-dichloro-4-((3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methoxy)phenyl)-2-methylenebutan-1-one

<2,3-dichloro-4-(2-methylenebutyryl)phenoxy>acetyl chloride

5-[2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxymethyl]-3-methyl-1,2,4-oxadiazole

Refernces

• 1、 -. "Environmental-protection preparation method for high yielding of 1,2,4-oxadiazole compounds containing alpha,beta-unsaturated ketones". Paragraph 0069; 0070; 0071. . Retrieved 2017/08/30.