2-(4-Chlorophenoxy)-2-methylpropionic acid supplier

Name
2-(4-Chlorophenoxy)-2-methylpropionic acid
EINECS 212-925-9
CAS No. 882-09-7
Article Data38
CAS DataBase
Density 1.265 g/cm³
Solubility
Melting Point 120-122 °C(lit.)
Formula C₁₀H₁₁ClO₃
Boiling Point 324.1 °C at 760 mmHg
Molecular Weight 214.649
Flash Point 149.8 °C
Transport Information
Appearance pale yellow solid
Safety 36-24/25
Risk Codes 22-20/21/22
Molecular Structure
Hazard Symbols Xn, Xi
Synonyms (p-Chlorophenoxy)isobutyricacid;2-(4-Chlorophenoxy)-2-methylpropanoic acid;Clofibric acid;2-(p-Chlorophenoxy)-2-methylpropanoic acid;2-(p-Chlorophenoxy)-2-methylpropionic acid;2-(p-Chlorophenoxy)isobutyric acid;2-[(4-Chlorophenyl)oxy]-2-methylpropionic acid;4-Chlorophenoxyisobutyric acid;Arteriohom;CPIBA;Chlorfibrinic acid;Chlorofibrinic acid;Chlorophibrinic acid;Clofibrate free acid;Propionicacid, 2-(p-chlorophenoxy)-2-methyl- (6CI,7CI,8CI);
PSA 46.53000
LogP 2.58200

Synthetic route

: 31637-97-5
ETOFIBRATE

A: 59-67-6
nicotinic acid

B: 882-09-7
Clofibric acid

C: 107-21-1
ethylene glycol

Conditions

Conditions	Yield
With hydrogenchloride; [RuCl2(CO)2(Ph2P-3-C6H4COOH)2] In methanol; water at 75℃; for 0.333333h;	A 99.1% B n/a C n/a

...Expand

: 637-07-0
Clofibrate

: 882-09-7
Clofibric acid

Conditions

Conditions	Yield
With methanol; sodium hydroxide In dichloromethane; water	94%
With sodium hydroxide In tetrahydrofuran; methanol; water	93%
Stage #1: Clofibrate With lithium hydroxide monohydrate; water In tetrahydrofuran at 20℃; for 16h; Stage #2: With hydrogenchloride In tetrahydrofuran pH=~ 2;	82%

: 106-48-9
4-chloro-phenol

: 57-15-8
1,1,1-trichloro-2-methyl-2-propanol

: 882-09-7
Clofibric acid

Conditions

Conditions	Yield
With sodium hydroxide In acetone for 16h; Ambient temperature;	90%

: 2052-01-9
2-bromo-2-methylpropionic acid

: 106-48-9
4-chloro-phenol

: 882-09-7
Clofibric acid

Conditions

Conditions	Yield
Stage #1: 4-chloro-phenol With sodium hydroxide In butanone at 50℃; for 1h; Stage #2: 2-bromo-2-methylpropionic acid In butanone at 50℃; for 1.5h;	87%
With sodium hydroxide In ethanol for 24h; Heating;
Multistep reaction.;
Stage #1: 4-chloro-phenol With sodium hydroxide In butanone at 50℃; for 2h; Stage #2: 2-bromo-2-methylpropionic acid In butanone at 50℃; for 12h;

: 60-35-5
acetamide

: 1-bromo-methylenediamine

: 36637-30-6
O-(4-chlorophenyl)hydroxylamine

: 882-09-7
Clofibric acid

Conditions

Conditions	Yield
With sodium sulfite In hexane at 65℃; for 2.16667h; Concentration; Temperature; Reflux;	85%

...Expand

: 616-91-1
N-acetylcystein

: clofibryl-S-acyl-glutathione

A: 882-09-7
Clofibric acid

B: clofibryl-S-acyl-N-acetylcysteine

Conditions

Conditions	Yield
With buffer at 37℃; pH=7.4;	A 1% B 75%

...Expand

: 67-66-3
chloroform

: 106-48-9
4-chloro-phenol

: 67-64-1
acetone

: 882-09-7
Clofibric acid

Conditions

Conditions	Yield
With sodium hydroxide for 0.416667h; grindstone chemistry;	69%
With sodium hydroxide for 24h; Ambient temperature;	59%
Stage #1: 4-chloro-phenol; acetone With sodium hydroxide at 20℃; for 0.5h; Reflux; Stage #2: chloroform In acetone for 3.5h; Reflux; Stage #3: With hydrogenchloride; water
Stage #1: 4-chloro-phenol; acetone at 20℃; for 0.0833333h; Stage #2: With sodium hydroxide at 0℃; Stage #3: chloroform for 5h; Reflux;
Stage #1: chloroform; 4-chloro-phenol; acetone With sodium hydroxide at 42 - 59℃; for 1.5h; Stage #2: With hydrogenchloride pH=2;

...Expand

: 600-00-0
ethyl 2-bromoisobutyrate

: 1193-00-6
sodium 4-chlorophenolate

: 882-09-7
Clofibric acid

Conditions

Conditions	Yield
With ethanol anschliessend Erwaermen mit wss. Natronlauge;

: 56-23-5
tetrachloromethane

: 67-66-3
chloroform

: 106-48-9
4-chloro-phenol

: 67-64-1
acetone

: 882-09-7
Clofibric acid

...Expand

: 106-48-9
4-chloro-phenol

: 67-64-1
acetone

: 882-09-7
Clofibric acid

Conditions

Conditions	Yield
With sodium hydroxide; chloroform

: 54504-70-0
Duolip

A: 882-09-7
Clofibric acid

B: 519-37-9
7-(2-hydroxyethyl)theophylline

Conditions

Conditions	Yield
Product distribution; metabolism in vitro and in vivo in rats and dogs;

: 637-07-0
Clofibrate

A: 64-17-5
ethanol

B: 882-09-7
Clofibric acid

Conditions

Conditions	Yield
With sodium hydroxide; water at 30.2℃; Rate constant; Product distribution; rate constant for hydrolysis, temperature and pH dependence;

: 31637-97-5
ETOFIBRATE

A: 59-67-6
nicotinic acid

B: 3612-80-4
2-Hydroxyethyl nicotinate

C: 882-09-7
Clofibric acid

D: 31637-96-4
2-(4-Chlorphenoxy)-2-methylpropionsaeure-2-hydroxyethylester

Conditions

Conditions	Yield
With propylene glycol for 0.116667h; pharmacokinetics on intravenous infusion into dogs; other modes of administration, doses and formulations administered;

...Expand

: 31637-97-5
ETOFIBRATE

A: 3612-80-4
2-Hydroxyethyl nicotinate

B: 882-09-7
Clofibric acid

Conditions

Conditions	Yield
With hydrogenchloride; water at 49.8℃; Rate constant; Product distribution; rate constant for hydrolysis, temperature and pH dependence;

: 63394-05-8
Perifunal

: 882-09-7
Clofibric acid

Conditions

Conditions	Yield
With sodium hydroxide In water

: 2-(4-chloro-phenoxy)-2-methyl-propionic acid [methyl-(4-nitro-benzenesulfonyl)-amino]-methyl ester

A: 882-09-7
Clofibric acid

B: 4-chloro-N-hydroxymethyl-N-methyl-benzenesulfonamide

Conditions

Conditions	Yield
With sodium perchlorate; water In acetonitrile at 25℃; Rate constant; also in base and acid buffers;

: 2-(4-chloro-phenoxy)-2-methyl-propionic acid (benzoyl-ethoxycarbonylmethyl-amino)-methyl ester

: 882-09-7
Clofibric acid

Conditions

Conditions	Yield
With NADPH-generating system; rat liver homogenate at 37℃; Enzyme kinetics; Hydrolysis; Enzymatic reaction;

: 106-48-9
4-chloro-phenol

: 882-09-7
Clofibric acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: potassium carbonate / N,N-dimethyl-formamide / 0.17 h 1.2: 16 h / 20 °C 2.1: sodium hydroxide / tetrahydrofuran; methanol; water View Scheme
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 30 - 70 °C 2: methanol; sodium hydroxide / dichloromethane; water View Scheme

: 882-09-7
Clofibric acid

: 5542-60-9
clofibryl chloride

Conditions

Conditions	Yield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃;	100%
With thionyl chloride; chloroform
With thionyl chloride

: 882-09-7
Clofibric acid

: 299-42-3
ephedrine

: 1234188-42-1
ephedrinium clofibrate

Conditions

Conditions	Yield
Heating; Neat (no solvent);	100%

: 882-09-7
Clofibric acid

: 100-51-6
benzyl alcohol

: α-(4-chloro-phenoxy)-isobutyric acid benzyl ester

Conditions

Conditions	Yield
With [Cl(C6F13C2H4)2SnOSn(C2H4C6F13)2Cl]2 In various solvent(s) at 150℃; for 16h;	98%

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

: 882-09-7
Clofibric acid

: 40249-24-9
2-(p-chlorophenoxy)-2-methyl-propionic acid succinimido ester

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In ethyl acetate	95%

: 882-09-7
Clofibric acid

: 76456-06-9
imino(methyl)(pyridin-2-yl)-λ6-sulfanone

: 1384980-58-8
N-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-S-methyl-S-2-pyridylsulfoximine

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere;	95%

: 869971-83-5
[(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid - (1R)-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-one

: 882-09-7
Clofibric acid

: (1R)-1'-[2-(4-Chlorophenoxy)-2-methylpropanoyl]-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-one

Conditions

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In DMF (N,N-dimethyl-formamide) at 20℃;	94%

: 882-09-7
Clofibric acid

: 56-12-2
4-amino-n-butyric acid

: 1098392-92-7
C14H18ClNO4

Conditions

Conditions	Yield
With chloroformic acid ethyl ester; triethylamine; sodium hydroxide In tetrahydrofuran; water at 20℃; for 1h; Cooling with ice salt bath;	90%

: 882-09-7
Clofibric acid

: 109-64-8
1,3-dibromo-propane

: 2-(4-chlorophenoxy)-2-methylpropionic acid 3-bromopropyl ester

Conditions

Conditions	Yield
Stage #1: Clofibric acid With sodium hydroxide In N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: 1,3-dibromo-propane In N,N-dimethyl-formamide at 70℃; for 5h;	90%

: 18370-81-5
(3-bromopropyl)amine

: 882-09-7
Clofibric acid

: C13H17BrClNO2

Conditions

Conditions	Yield
Stage #1: Clofibric acid With 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 0.166667h; Stage #2: (3-bromopropyl)amine In dichloromethane at 20℃;	90%

: 882-09-7
Clofibric acid

: ethyl (R)-2-((mesitylsulfinyl)imino)acetate

: C22H28ClNO4S

Conditions

Conditions	Yield
With 9-mesityl-2,7-dimethyl-10-phenylacridin-10-ium tetrafluoroborate; potassium carbonate at 20℃; Inert atmosphere; Irradiation; diastereoselective reaction;	90%

: 107-09-5
2-bromoethylamine

: 882-09-7
Clofibric acid

: C12H15BrClNO2

Conditions

Conditions	Yield
Stage #1: Clofibric acid With 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 0.166667h; Stage #2: 2-bromoethylamine In dichloromethane at 20℃;	89%

: 67-56-1
methanol

: 882-09-7
Clofibric acid

: 55162-41-9
2-[4-chlorophenoxy]-2-methylpropionic acid methyl ester

Conditions

Conditions	Yield
With sulfuric acid for 6h; Heating;	88%
With pyridine; thionyl chloride 1.) ether, reflux, 90 min; 2.) 60 min; Yield given. Multistep reaction;

: 882-09-7
Clofibric acid

: 106-93-4
ethylene dibromide

: 2-(4-chlorophenoxy)-2-methylpropionic acid 2-bromoethyl ester

Conditions

Conditions	Yield
Stage #1: Clofibric acid With sodium hydroxide In N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: ethylene dibromide In N,N-dimethyl-formamide at 70℃; for 5h;	88%

: 847682-00-2
1,3-bis(2,2-dimethyl-1,3-dioxan-5-yloxy)propan-2-yl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate

: 882-09-7
Clofibric acid

: 1043468-93-4
1,3-bis(2,2-dimethyl-1,3-dioxan-5-yloxy)propan-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 2h; Inert atmosphere;	87%

: 4-boc-aminopiperidine

: 882-09-7
Clofibric acid

: tert-butyl (1-(2-(4-chlorophenoxy)-2-methylpropanoyl)piperidin-4-yl)carbamate

Conditions

Conditions	Yield
Stage #1: Clofibric acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Cooling with ice; Stage #2: 4-boc-aminopiperidine With triethylamine In dichloromethane at 20℃; for 1h; Cooling with ice;	86%

: 882-09-7
Clofibric acid

: 140-88-5
ethyl acrylate

: C16H17F3O5

Conditions

Conditions	Yield
With tert-Amyl alcohol; t-Boc-L-valine; oxygen; palladium diacetate; potassium hydrogencarbonate at 90℃; for 24h; Schlenk technique;	85%

: 110-52-1
1,4-dibromo-butane

: 882-09-7
Clofibric acid

: 2-(4-chlorophenoxy)-2-methylpropionic acid 4-bromobutyl ester

Conditions

Conditions	Yield
Stage #1: Clofibric acid With sodium hydroxide In N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: 1,4-dibromo-butane In N,N-dimethyl-formamide at 70℃; for 5h;	83%

: 882-09-7
Clofibric acid

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: C19H27ClN2O4

Conditions

Conditions	Yield
Stage #1: Clofibric acid With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 70℃; for 1h; Stage #2: 1-t-Butoxycarbonylpiperazine In N,N-dimethyl-formamide for 2h;	83%

: 102-71-6
triethanolamine

: 882-09-7
Clofibric acid

: 105377-53-5
2-(4-Chloro-phenoxy)-2-methyl-propionic acid; compound with 2-[bis-(2-hydroxy-ethyl)-amino]-ethanol

Conditions

Conditions	Yield
In ethanol	81.8%

: 33977-38-7
1-bromo-4-aminobutane

: 882-09-7
Clofibric acid

: C14H19BrClNO2

Conditions

Conditions	Yield
Stage #1: Clofibric acid With 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 0.166667h; Stage #2: 4-bromo-1-aminobutane In dichloromethane at 20℃;	81%

: 882-09-7
Clofibric acid

: 118-58-1
benzyl salicylate

: 90296-25-6
benzyl O-<2-(p-chlorophenoxy)-2-methylpropionyl>salicylate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	78%

: 96-50-4
2-thiazolylamine

: 882-09-7
Clofibric acid

: 404360-27-6
2-(4-chloro-phenoxy)-2-methyl-N-thiazol-2-yl-propionamide

Conditions

Conditions	Yield
Stage #1: Clofibric acid With benzotriazol-1-ol; triethylamine In dichloromethane at 0℃; for 0.0833333h; Stage #2: 2-thiazolylamine With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 12h;	78%

: 753-90-2
trifluoroethylamine

: 882-09-7
Clofibric acid

: 75-05-8
acetonitrile

: N-acetyl-2-(4-chlorophenoxy)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

Conditions

Conditions	Yield
With copper(l) iodide; tert.-butylnitrite at 25℃; for 12h; chemoselective reaction;	78%

...Expand

: 882-09-7
Clofibric acid

: 19-O-tritylisoandrographolide

: C49H53ClO7

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃;	76%

: 524-38-9
N-hydroxyphthalimide

: 882-09-7
Clofibric acid

: 1,3-dioxoisoindolin-2-yl 2-(4-chlorophenoxy)-2-methylpropanoate

Conditions

Conditions	Yield
With dmap; diisopropyl-carbodiimide In dichloromethane at 20℃; for 1h;	76%
With dmap; dicyclohexyl-carbodiimide at 20℃; for 6h; Schlenk technique; Inert atmosphere;

2-(4-Chlorophenoxy)-2-methylpropionic acid Chemical Properties

Molecule structure of Clofibric acid (CAS NO.882-09-7):

IUPAC Name: 2-(4-Chlorophenoxy)-2-methylpropanoic acid
Molecular Weight: 214.64554 g/mol
Molecular Formula: C₁₀H₁₁ClO₃
Density: 1.265 g/cm³
Melting Point: 120-122 °C(lit.)
Boiling Point: 324.1 °C at 760 mmHg
Flash Point: 149.8 °C
Index of Refraction: 1.54
Molar Refractivity: 53.25 cm³
Molar Volume: 169.5 cm³
Polarizability: 21.11×10^-24 cm³
Surface Tension: 43.7 dyne/cm
Enthalpy of Vaporization: 59.76 kJ/mol
Vapour Pressure: 0.000103 mmHg at 25 °C
Water Solubility: 583 mg/L
XLogP3: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 214.039672
MonoIsotopic Mass: 214.039672
Topological Polar Surface Area: 46.5
Heavy Atom Count: 14
Complexity: 207
Canonical SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl
InChI: 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
EINECS: 212-925-9
Product Categories: Acids and Derivatives; Organic acids; Aromatics Compounds; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals; Intracellular receptor

2-(4-Chlorophenoxy)-2-methylpropionic acid Uses

Clofibric acid (CAS NO.882-09-7) is used as intermediates for pharmaceutical Clofibrate. It also functions as a plant growth regulator against the plant hormone auxin.

2-(4-Chlorophenoxy)-2-methylpropionic acid Toxicity Data With Reference

1.	dns-rat-orl 2100 mg/kg/1W-C	CRNGDP Carcinogenesis. 12 (1991),1557.
2.	unk-hmn TDLo:260 mg/kg (91D):LIV	ATHSBL Atherosclerosis (Shannon, Ireland). 36 (1980),159.
3.	orl-rat LD50:897 mg/kg	ARZNAD Arzneimittel-Forschung. Drug Research. 30 (1980),2023.
4.	scu-rat LD50:120 mg/kg	PHARAT Pharmazie. 22 (1967),167.
5.	orl-mus LD50:1170 mg/kg	ARZNAD Arzneimittel-Forschung. Drug Research. 27 (1977),1173.
6.	ipr-mus LD50:290 mg/kg	PHARAT Pharmazie. 22 (1967),167.
7.	scu-mus LD50:683 mg/kg	RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 33 (1970),150.

2-(4-Chlorophenoxy)-2-methylpropionic acid Safety Profile

Hazard Codes: Harmful Xn, Irritant Xi
Risk Statements: 22-20/21/22
R22:Harmful if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36-24/25
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: UE9455000
Hazard Note: Irritant
HazardClass: IRRITANT
Poison by intraperitoneal and subcutaneous routes. Moderately toxic by ingestion. Liver damage in humans by an unspecified route. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl⁻.

2-(4-Chlorophenoxy)-2-methylpropionic acid Specification

Clofibric acid (CAS NO.882-09-7) is also named as 2-(4-Chlorophenoxy)-2-methylpropanoic acid ; 2-(4-Chlorophenoxy)-2-methylpropionic acid ; 2-(p-Chlorophenoxy)-2-methylpropionic acid ; 2-(p-Chlorophenoxy)isobutyric acid ; 4-(Chlorophenoxy)isobutyric acid (VAN) ; 4-06-00-00851 (Beilstein Handbook Reference) ; Acetic acid, (p-chlorophenoxy)dimethyl- ; Acide (p-chlorophenoxy)-2 methyl-2 propionique ; Acide (p-chlorophenoxy)-2 methyl-2 propionique [French] ; Acide clofibrique ; Acide clofibrique [INN-French] ; Acido clofibrico ; Acido clofibrico [INN-Spanish] ; Acidum chlorphibricum ; Acidum clofibricum ; Acidum clofibricum [INN-Latin] ; BRN 1874067 ; CCRIS 9254 ; Chlorfibrinic acid ; Chlorofibrinic acid ; Chlorophibrinic acid ; Clofibrate free acid ; Clofibrin ; Clofibrinsaeure ; Clofibrinsaeure [German] ;
NSC 1149 ; Regadrin ; Regulipid ; UNII-53PF01Q249 ; alpha-(4-(Chlorphenoxy)-2-methylpropionsaeure ; alpha-(4-Chlorophenoxy)-alpha-methylpropionic acid ; alpha-(4-Chlorophenoxy)isobutyric acid ; alpha-(p-Chlorophenoxy)isobutyric acid ; p-(2,4-Chlorophenoxy)isobutyric acid . Clofibric acid (CAS NO.882-09-7) is pale yellow solid.

Product Name

2-(4-Chlorophenoxy)-2-methylpropionic acid

Synthetic route

2-(4-Chlorophenoxy)-2-methylpropionic acid Chemical Properties

2-(4-Chlorophenoxy)-2-methylpropionic acid Uses

2-(4-Chlorophenoxy)-2-methylpropionic acid Toxicity Data With Reference

2-(4-Chlorophenoxy)-2-methylpropionic acid Safety Profile

2-(4-Chlorophenoxy)-2-methylpropionic acid Specification

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