2-Methyl-2-phenoxypropanoic acid supplier

Name
2-METHYL-2-PHENOXY-PROPIONIC ACID
EINECS 213-402-8
CAS No. 943-45-3
Article Data24
CAS DataBase
Density 1.143g/cm³
Solubility 1000g/L at 25℃
Melting Point 98.0 to 102.0 °C
Formula C₁₀H₁₂O₃
Boiling Point 289.3 °C at 760 mmHg
Molecular Weight 180.203
Flash Point 111.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Propionicacid, 2-methyl-2-phenoxy- (6CI,7CI,8CI);2,2-Dimethyl-2-phenoxyacetic acid;2,2-Dimethylphenoxyacetic acid;2-Methyl-2-phenoxypropanoic acid;2-Phenoxy-2-methylpropionic acid;2-Phenoxyisobutyric acid;Fibric acid;NSC34010;Phenoxy-a-isobutyricacid;Phenoxyisobutyric acid;
PSA 46.53000
LogP 1.92860

Synthetic route

: 18672-04-3
ethyl 2-methyl-2-phenoxypropanoate

: 943-45-3
2-methyl-2-phenoxypropionic acid

Conditions

Conditions	Yield
With water; sodium hydroxide In ethanol at 26℃; for 0.5h;	94.1%
With water; sodium hydroxide In ethanol at 26℃; for 0.5h;	94.1%
With potassium hydroxide
Stage #1: ethyl 2-methyl-2-phenoxypropanoate With methanol; lithium hydroxide; water In tetrahydrofuran at 20℃; Stage #2: With hydrogenchloride In tetrahydrofuran; water pH=2;
Stage #1: ethyl 2-methyl-2-phenoxypropanoate With water; lithium hydroxide In methanol for 3h; Reflux; Stage #2: With hydrogenchloride In water pH=2;

: C12H15IO2

A: 16748-90-6
2,2-dimethylbenzofuran-3(2H)-one

B: 943-45-3
2-methyl-2-phenoxypropionic acid

Conditions

Conditions	Yield
Stage #1: C12H15IO2 With N1,N1,N12,N12-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere; Stage #2: With potassium hydroxide; water In methanol at 50℃; for 12h;	A 83% B 8.3%

: ethyl 2-(2-iodophenoxy)-2-methylpropanoate

A: 16748-90-6
2,2-dimethylbenzofuran-3(2H)-one

B: 943-45-3
2-methyl-2-phenoxypropionic acid

Conditions

Conditions	Yield
Stage #1: ethyl 2-(2-iodophenoxy)-2-methylpropanoate With N1,N1,N12,N12-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere; Stage #2: With potassium hydroxide In methanol; water at 50℃; for 12h; Inert atmosphere;	A 83% B 8%

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

: 108-95-2
phenol

: 943-45-3
2-methyl-2-phenoxypropionic acid

Conditions

Conditions	Yield
Stage #1: phenol With sodium hydroxide In butanone at 50℃; for 2h; Stage #2: 2-bromo-2-methylpropionic acid In butanone at 50℃; for 12h;	81%
Multistep reaction.;

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

: 108-95-2
phenol

: 943-45-3
2-methyl-2-phenoxypropionic acid

Conditions

Conditions	Yield
With sodium hydroxide In acetone at 0 - 20℃; for 4h;	38%

: (1,1-dimethyl-pent-4-en-1-ynyl)-phenyl ether

A: 943-45-3
2-methyl-2-phenoxypropionic acid

B: 144-62-7
oxalic acid

Conditions

Conditions	Yield
With potassium permanganate; sodium carbonate

: 56-23-5
tetrachloromethane

: 67-64-1
acetone

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

: 108-95-2
phenol

: 943-45-3
2-methyl-2-phenoxypropionic acid

...Expand

: 56-23-5
tetrachloromethane

: 67-66-3
chloroform

: 67-64-1
acetone

: 108-95-2
phenol

: 943-45-3
2-methyl-2-phenoxypropionic acid

...Expand

: 56-23-5
tetrachloromethane

: 594-61-6
2-methyllactic acid

: 67-64-1
acetone

: 108-95-2
phenol

: 943-45-3
2-methyl-2-phenoxypropionic acid

...Expand

: 56-23-5
tetrachloromethane

: 67-64-1
acetone

: 108-95-2
phenol

: 943-45-3
2-methyl-2-phenoxypropionic acid

Conditions

Conditions	Yield
With sodium hydroxide

...Expand

: 67-66-3
chloroform

: 67-64-1
acetone

: 108-95-2
phenol

: 943-45-3
2-methyl-2-phenoxypropionic acid

Conditions

Conditions	Yield
With sodium hydroxide
With potassium hydroxide
Stage #1: acetone; phenol With sodium hydroxide at 20℃; for 0.5h; Reflux; Stage #2: chloroform In acetone for 3.5h; Reflux; Stage #3: With hydrogenchloride; water

...Expand

: 594-61-6
2-methyllactic acid

: 108-95-2
phenol

: 943-45-3
2-methyl-2-phenoxypropionic acid

Conditions

Conditions	Yield
With sodium hydroxide; acetone

: 139-02-6
sodium phenoxide

: 943-45-3
2-methyl-2-phenoxypropionic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 160 °C 2: aqueous KOH-solution View Scheme

cyclohexane-petroleum ether: cyclohexane-petroleum ether

: 882-09-7
Clofibric acid

: 943-45-3
2-methyl-2-phenoxypropionic acid

Conditions

Conditions	Yield
With potassium hydroxide In 1,4-dioxane; methanol; water
With potassium hydroxide In 1,4-dioxane; methanol; water

: 18672-04-3
ethyl 2-methyl-2-phenoxypropanoate

A: 16748-90-6
2,2-dimethylbenzofuran-3(2H)-one

B: 943-45-3
2-methyl-2-phenoxypropionic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water for 12h;

: 108-95-2
phenol

: 943-45-3
2-methyl-2-phenoxypropionic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: caesium carbonate / acetonitrile / 16 h / 25 °C / Reflux 2: sodium hydroxide; water / ethanol / 0.5 h / 26 °C View Scheme
Multi-step reaction with 2 steps 1: caesium carbonate / acetonitrile / 16 h / 25 °C / Reflux 2: sodium hydroxide; water / ethanol / 0.5 h / 26 °C View Scheme

: 67-64-1
acetone

: 65-85-0
benzoic acid

: 943-45-3
2-methyl-2-phenoxypropionic acid

Conditions

Conditions	Yield
With sodium hydroxide In chloroform for 3h; Heating;	1.34 g

: 790616-79-4
lead(II) carbonate

: 943-45-3
2-methyl-2-phenoxypropionic acid

: lead phenoxyisobutyrate

Conditions

Conditions	Yield
In ethanol; water reflux (4 h), solvent evapn.; elem. anal.;	99.9%

: 943-45-3
2-methyl-2-phenoxypropionic acid

: 100-46-9
benzylamine

: 128966-05-2
N-Benzyl-2-methyl-2-phenoxy-propionamide

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane	94%

: 943-45-3
2-methyl-2-phenoxypropionic acid

: 140-88-5
ethyl acrylate

: C15H18O5

Conditions

Conditions	Yield
With tert-Amyl alcohol; t-Boc-L-valine; oxygen; palladium diacetate; potassium hydrogencarbonate at 90℃; for 24h; Schlenk technique;	91%

: 67-56-1
methanol

: 39565-07-6
7-amino-2,4-dimethyl-1,8-naphthyridine

: 943-45-3
2-methyl-2-phenoxypropionic acid

: (5,7-dimethyl-1,8-naphthyridine-2-amine)2:(2-methyl-2-phenoxypropanoic acid)2:CH3OH

Conditions

Conditions	Yield
for 0.25h;	89.04%

...Expand

: 51-17-2
benzoimidazole

: 943-45-3
2-methyl-2-phenoxypropionic acid

: benzimidazole 2-methyl-2-phenoxypropanoic acid

Conditions

Conditions	Yield
In methanol	88.51%

: 366-18-7
[2,2]bipyridinyl

: 943-45-3
2-methyl-2-phenoxypropionic acid

: 5970-45-6
zinc(II) acetate dihydrate

: [Zn(2,2′-bipyridine)(2-methyl-2-phenoxypropanoate)2·H2O]·H2O

Conditions

Conditions	Yield
Stage #1: 2-methyl-2-phenoxypropionic acid; zinc(II) acetate dihydrate In methanol at 60℃; for 0.333333h; Stage #2: [2,2]bipyridinyl In methanol at 60℃; for 0.1h;	77.93%

...Expand

: 943-45-3
2-methyl-2-phenoxypropionic acid

: 100-97-0
hexamethylenetetramine

: 5743-04-4
cadmium(II) acetate dihydrate

: Cd(hexamethylenetetramine)2(2-methyl-2-phenoxypropionate)2(H2O)2

Conditions

Conditions	Yield
Stage #1: 2-methyl-2-phenoxypropionic acid; hexamethylenetetramine; cadmium(II) acetate dihydrate In methanol; ethanol at 20℃; for 2h; Stage #2: With ammonia In methanol; ethanol	77.49%

...Expand

: 366-18-7
[2,2]bipyridinyl

: cadmium(II) chloride dihydrate

: 943-45-3
2-methyl-2-phenoxypropionic acid

: 7732-18-5
water

: [Cd(2,2′-bipyridine)2(2-methyl-2-phenoxypropanoate)2]·H2O

Conditions

Conditions	Yield
Stage #1: cadmium(II) chloride dihydrate; 2-methyl-2-phenoxypropionic acid; water at 60℃; for 0.333333h; Stage #2: [2,2]bipyridinyl at 60℃; for 0.1h;	72.4%

...Expand

: 67572-54-7
3-(3,4-diossimetilenefenil)-4-ammino-5-mercapto-4H-1,2,4-triazolo

: 943-45-3
2-methyl-2-phenoxypropionic acid

: 106690-20-4
3-Benzo[1,3]dioxol-5-yl-6-(1-methyl-1-phenoxy-ethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Conditions

Conditions	Yield
With trichlorophosphate Heating;	68%

: 943-45-3
2-methyl-2-phenoxypropionic acid

: 541-15-1
L-carnitine

: l-Carnitine phenoxyisobutyrate

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone	60%

: 943-45-3
2-methyl-2-phenoxypropionic acid

: 19-O-tritylisoandrographolide

: C49H54O7

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃;	58.3%

: 943-45-3
2-methyl-2-phenoxypropionic acid

: (1S,3S)-isopropyl 3-((6-(5-(aminomethyl)-1-methyl-1H-1,2,3-triazol-4-yl)-2-methylpyridin-3-yl)oxy)cyclohexane-1-carboxylate

: (1S,3S)-3-((2-methyl-6-(1-methyl-5-((2-methyl-2-phenoxypropanamido)methyl)-1H-1,2,3-triazol-4-yl)pyridin-3-yl)oxy)cyclohexane-1-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 2-methyl-2-phenoxypropionic acid With 1-chloro-1-(dimethylamino)-2-methyl-1-propene In dichloromethane at 20℃; for 0.166667h; Stage #2: (1S,3S)-isopropyl 3-((6-(5-(aminomethyl)-1-methyl-1H-1,2,3-triazol-4-yl)-2-methylpyridin-3-yl)oxy)cyclohexane-1-carboxylate With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 1h; Stage #3: With lithium hydroxide monohydrate In tetrahydrofuran; methanol; water at 20℃;	47%

Yield

Stage #1: 2-methyl-2-phenoxypropionic acid With 1-chloro-1-(dimethylamino)-2-methyl-1-propene In dichloromethane at 20℃; for 0.166667h;
Stage #2: (1S,3S)-isopropyl 3-((6-(5-(aminomethyl)-1-methyl-1H-1,2,3-triazol-4-yl)-2-methylpyridin-3-yl)oxy)cyclohexane-1-carboxylate With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 1h;
Stage #3: With lithium hydroxide monohydrate In tetrahydrofuran; methanol; water at 20℃;

47%

: 943-45-3
2-methyl-2-phenoxypropionic acid

: 23055-10-9
1,4-dimethyl but-2-enedioate

: dimethyl 2-(2-phenoxypropan-2-yl)succinate

Conditions

Conditions	Yield
With potassium phosphate; PrPPTNO; water In acetonitrile at 25 - 32℃; for 16h; Inert atmosphere; Schlenk technique; Darkness; UV-irradiation;	26%

: 64-18-6
formic acid

: 943-45-3
2-methyl-2-phenoxypropionic acid

: 954279-15-3
1-amino-3-(3,4-dihydroisoquinoline-2(1H)-yl)propan-2-ol

: N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-methyl-2-phenoxypropanamide formate salt

Conditions

Conditions	Yield
Stage #1: 2-methyl-2-phenoxypropionic acid; 1-amino-3-(3,4-dihydroisoquinoline-2(1H)-yl)propan-2-ol With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 24℃; for 16h; Stage #2: formic acid	8%

...Expand

: 64-17-5
ethanol

: 943-45-3
2-methyl-2-phenoxypropionic acid

: 18672-04-3
ethyl 2-methyl-2-phenoxypropanoate

Conditions

Conditions	Yield
With hydrogenchloride

: 943-45-3
2-methyl-2-phenoxypropionic acid

: 50389-29-2
2-methyl-2-phenoxy-propionyl chloride

Conditions

Conditions	Yield
With phosphorus pentachloride
With thionyl chloride
With thionyl chloride

: 943-45-3
2-methyl-2-phenoxypropionic acid

: 10514-62-2
2-Methyl-2-(2-nitrophenoxy)propanoic Acid

Conditions

Conditions	Yield
With nitric acid

: 943-45-3
2-methyl-2-phenoxypropionic acid

A: 79-41-4
poly(methacrylic acid)

B: 108-95-2
phenol

Conditions

Conditions	Yield
bei der Destillation;

2-Methyl-2-phenoxypropanoic acid Specification

The 2-Methyl-2-phenoxypropanoic acid with the CAS number 943-45-3 is also called Propanoic acid,2-methyl-2-phenoxy-. Its molecular formula is C₁₀H₁₂O₃. The EINECS registry number is 213-402-8. The product category is Pharmacetical. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the 2-Methyl-2-phenoxypropanoic acid are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -1.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.82; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 48.36 cm³; (15)Molar Volume: 157.6 cm³; (16)Polarizability: 19.17×10^-24cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Enthalpy of Vaporization: 55.82 kJ/mol; (19)Vapour Pressure: 0.00103 mmHg at 25°C.

Uses: This chemical can react with benzylamine to prepare N-benzyl-2-methyl-2-phenoxy-propionamide. This reaction needs reagent Dicyclohexylcarbodiimide and solvent CH₂Cl₂. The yield is 94%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(Oc1ccccc1)(C)C
(2)InChI: InChI=1/C10H12O3/c1-10(2,9(11)12)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
(3)InChIKey: ILPUOPPYSQEBNJ-UHFFFAOYAC

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	507mg/kg (507mg/kg)		Travaux de la Societe de Pharmacie de Montpellier. Vol. 34, Pg. 121, 1974.

Product Name

2-METHYL-2-PHENOXY-PROPIONIC ACID

Synthetic route

2-Methyl-2-phenoxypropanoic acid Specification

Related Products

Hot Products