| Identification | More | [Name]
2-(4-Chlorophenoxy)-2-methylpropionic acid | [CAS]
882-09-7 | [Synonyms]
2-(4-CHLOROPHENOXY)-2-METHYLPROPANOIC ACID
2-(4-CHLOROPHENOXY)-2-METHYLPROPIONIC ACID
2-(4-CHLOROPHENOXY)ISOBUTYRIC ACID
2-(P-CHLOROPHENOXY)-2-METHYLPROPIONIC ACID
4-CHLOROPHENOXY-ISO-BUTYRIC ACID
AKOS B013926
AKOS BB-7852
ALPHA-(P-CHLOROPHENOXY)ISOBUTYRIC ACID
ASISCHEM A27485
CLOFIBRIC ACID
CLOFIBRINIC ACID
RARECHEM AL BO 0794
TIMTEC-BB SBB008306
(Chlorophenoxy)isobutyric acid
(p-chlorophenoxy)dimethyl-aceticaci
(p-Chlorophenoxy)isobutyric acid
2-(p-chlorophenoxy)-2-methyl-propionicaci
2-(p-Chlorophenoxy)isobutyric acid
4-Chorophenoxy-d-methylpropionicacid
4-CPIB | [EINECS(EC#)]
212-925-9 | [Molecular Formula]
C10H11ClO3 | [MDL Number]
MFCD00004192 | [Molecular Weight]
214.65 | [MOL File]
882-09-7.mol |
| Chemical Properties | Back Directory | [Appearance]
Pale Yellow Solid | [Melting point ]
120-122 °C(lit.) | [Boiling point ]
308.11°C (rough estimate) | [density ]
1.2413 (rough estimate) | [refractive index ]
1.5220 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform, Methanol | [form ]
Crystals or Crystalline Powder | [pka]
3.18±0.10(Predicted) | [color ]
Pale yellow to brownish | [Usage]
Antilipemic. | [Merck ]
14,2378 | [BRN ]
1874067 | [InChI]
1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13) | [InChIKey]
TXCGAZHTZHNUAI-UHFFFAOYSA-N | [SMILES]
CC(C)(Oc1ccc(Cl)cc1)C(O)=O | [CAS DataBase Reference]
882-09-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Clofibric acid(882-09-7) | [EPA Substance Registry System]
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl- (882-09-7) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [RTECS ]
UE9455000
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29189900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Description]
Clofibric acid is a peroxisome proliferator-activated receptor α (PPARα) agonist (EC50 = 50 μM in a transactivation assay) and the active metabolite of clofibrate (Item No. 10956).1 It is formed from clofibrate by tissue and serum esterases.2 Dietary administration of clofibric acid (0.067-0.22%) reduces serum cholesterol, phospholipid, and triglyceride levels in rats.3 It decreases glutamate oxaloacetate transaminase (GOT) levels and increases glutamate pyruvate transaminase (GPT) and lactate dehydrogenase (LDH) levels, markers of xenobiotic stress, in the plasma of carp (C. carpio) when administered in tank water at a concentration of 10 μg/L.4 Clofibric acid has been found in wastewater effluent.5 | [Chemical Properties]
Pale Yellow Solid | [Uses]
A hypolipidemic compound | [Uses]
Antilipemic. | [Uses]
herbicide, antihyperlipoproteinemic, antineoplastic | [Definition]
ChEBI: A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate. | [Biological Activity]
PPAR agonist. Antihyperlipoproteinemic. | [Mechanism of action]
Auxin-transport inhibitor | [Synthesis]
Step 2: Synthesis of 2-(4-chlorophenoxy)-2-methylpropionic acid
To a solution of ethyl 2-(4-chlorophenoxy)-2-methylpropionate (2.0 g, 8.24 mmol) in tetrahydrofuran (16 mL) was added sequentially water (4 mL) and lithium hydroxide monohydrate (0.69 g, 16.4 mmol) at room temperature. The reaction mixture was stirred at room temperature for 16 hours. After completion of the reaction, the mixture was diluted with water and washed with dichloromethane (DCM). The aqueous phase was separated and acidified with 1 M aqueous hydrochloric acid to pH about 2, followed by extraction with dichloromethane (DCM, 2 times). The organic extracts were combined, washed with brine, dried over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to give 2-(4-chlorophenoxy)-2-methylpropionic acid (p-chlorophenoxyisobutyric acid) as a white solid (1.45 g, 82% yield).
1H NMR (400 MHz, chloroform-d): δ 1.62 (6H, s), 6.89 (2H, d, J = 9.0 Hz), 7.24 (2H, d, J = 9.0 Hz). | [storage]
Store at -20°C | [References]
[1] Journal of Medicinal Chemistry, 2017, vol. 60, # 2, p. 681 - 694
[2] Patent: WO2009/105509, 2009, A1. Location in patent: Page/Page column 36-37
[3] Journal of Pharmaceutical Sciences, 1980, vol. 69, # 1, p. 92 - 93
[4] Patent: WO2008/104994, 2008, A2. Location in patent: Page/Page column 32-33
[5] Patent: US2009/197959, 2009, A1. Location in patent: Page/Page column 18 | [Pesticide Type]
Plant Growth Regulator; Herbicide |
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