• Name

  4-(CYCLOPROPYL CARBONYL)-A,A-DIMETHYLPHENYL ACETIC ACID

• EINECS
• CAS No. 162096-54-0
• Article Data7
• CAS DataBase
• Density 1.213 g/cm³
• Solubility
• Melting Point
• Formula C₁₄H₁₆O₃
• Boiling Point 399.255 °C at 760 mmHg
• Molecular Weight 232.279
• Flash Point 209.424 °C
• Transport Information
• Appearance
• Safety
• Risk Codes
• Molecular Structure
• Hazard Symbols
• Synonyms 4-(Cyclopropylcarbonyl)-alpha,alpha-dimethylbenzeneacetic acid;
• PSA 54.37000
• LogP 2.64150

Synthetic route

169280-24-4

2-(4-(1-Oxo-1-cyclopropanyl)-phenyl)-2-methyl propanyl acetate

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

Conditions

Conditions	Yield
With nitric acid; sodium nitrite In acetic acid at 48 - 50℃; for 2h;	90%
With nitric acid; sodium nitrite In water; acetic acid at 48 - 50℃; for 5.5h; Heating / reflux;	90%

169280-26-6

2-(4-(1-Oxo-1-cyclopropanyl)-phenyl)-2-methylpropanol

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

Conditions

Conditions	Yield
With ruthenium trichloride; sodium periodate In tetrachloromethane; water; acetonitrile at 20℃; for 1h;	90%
With sodium periodate; ruthenium trichloride In tetrachloromethane; acetonitrile at 20℃; for 1h;	90%
With nitric acid; sodium nitrite In acetic acid at 48 - 50℃; for 2h;	83%

169280-06-2

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionitrile

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 21h; Heating / reflux;	70%
With hydrogenchloride In sodium hydroxide; ethanol; dichloromethane	70%
With hydrogenchloride In sodium hydroxide; ethanol; dichloromethane	70%
With sodium hydroxide In ethanol for 21h; Heating / reflux;	70%

169280-22-2

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionamide

64-17-5

ethanol

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

Conditions

Conditions	Yield
With hydrogenchloride for 10h; Heating / reflux;

169280-22-2

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionamide

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

Conditions

Conditions	Yield
In ethanol

71-43-2

benzene

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: sulfuric acid / 20 °C 2.1: 1-methyl-pyrrolidin-2-one / 160 - 165 °C 3.1: aluminum (III) chloride / dichloromethane / 0 - 5 °C / Inert atmosphere 3.2: 0 °C / Inert atmosphere 4.1: sodium hydroxide; methanol / 2 h / 20 °C 5.1: potassium permanganate; acetic acid / water; acetone / 0 - 20 °C View Scheme
Multi-step reaction with 4 steps 1.1: aluminum (III) chloride; propylene glycol / acetic acid methyl ester / 0 - 5 °C 2.1: aluminum (III) chloride / dichloromethane / 2.33 h / -5 - 0 °C 2.2: 5 h / 0 °C 3.1: methanol; sodium hydroxide / 4 h / 25 - 30 °C 4.1: water; acetic acid; potassium permanganate / acetone / 7 h / 25 - 45 °C View Scheme

18755-52-7

(2-acetoxy-1,1-dimethylethyl)benzene

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: aluminum (III) chloride / dichloromethane / 0 - 5 °C / Inert atmosphere 1.2: 0 °C / Inert atmosphere 2.1: sodium hydroxide; methanol / 2 h / 20 °C 3.1: potassium permanganate; acetic acid / water; acetone / 0 - 20 °C View Scheme
Multi-step reaction with 3 steps 1.1: aluminum (III) chloride / dichloromethane / 2.33 h / -5 - 0 °C 1.2: 5 h / 0 °C 2.1: methanol; sodium hydroxide / 4 h / 25 - 30 °C 3.1: water; acetic acid; potassium permanganate / acetone / 7 h / 25 - 45 °C View Scheme

515-40-2

neophyl chloride

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: 1-methyl-pyrrolidin-2-one / 160 - 165 °C 2.1: aluminum (III) chloride / dichloromethane / 0 - 5 °C / Inert atmosphere 2.2: 0 °C / Inert atmosphere 3.1: sodium hydroxide; methanol / 2 h / 20 °C 4.1: potassium permanganate; acetic acid / water; acetone / 0 - 20 °C View Scheme

169032-11-5

2-(4-(4-Chloro-1-oxo-butyl))-phenyl-2-methyl propanyl acetate

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: methanol; sodium hydroxide / 4 h / 25 - 30 °C 2: water; acetic acid; potassium permanganate / acetone / 7 h / 25 - 45 °C View Scheme

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

154477-54-0

2-[4-(4-Chloro-butyryl)-phenyl]-2-methyl-propionic acid, methyl ester

Conditions

Conditions	Yield
With hydrogenchloride; methanol at 40 - 45℃; for 7h;	95%

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

64-17-5

ethanol

76811-97-7

4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetic acid ethyl ester

Conditions

Conditions	Yield
With hydrogenchloride at 40 - 45℃; for 7h;	94.1%

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

2-amino-1-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)-3-phenylpropan-1-one

2-(4-(cyclopropanecarbonyl)phenyl)-N-(1-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)-1-oxo-3-phenylpropan-2-yl)-2-methylpropanamide

Conditions

Conditions	Yield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h; Inert atmosphere;	82%

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

sodium hydrogensulfite

162096-55-1

4-(4-iodo-1-oxobutyl)-α,α-dimethylphenylacetic acid

Conditions

Conditions	Yield
In dichloromethane; trimethylsilyl iodide	12.6 g (77%)

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

1448311-89-4

4-(4-chloro-1-hydroxyl-butyl)-α,α-dimethyl phenyl acetic acid ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogenchloride / 7 h / 40 - 45 °C 2: sodium tetrahydroborate / ethanol / 7 h / 25 - 30 °C View Scheme

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

174483-06-8

ethyl 4-[4[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylbenzeneacetate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrogenchloride / 7 h / 40 - 45 °C 2: sodium tetrahydroborate / ethanol / 7 h / 25 - 30 °C 3: potassium hydrogencarbonate; potassium iodide / N,N-dimethyl-formamide / 16 h / Reflux View Scheme

162096-54-0

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid

83799-24-0

fexofenadine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: hydrogenchloride / 7 h / 40 - 45 °C 2: sodium tetrahydroborate / ethanol / 7 h / 25 - 30 °C 3: potassium hydrogencarbonate; potassium iodide / N,N-dimethyl-formamide / 16 h / Reflux 4: methanol; sodium hydroxide / 6 h / Reflux View Scheme

4-(Cyclopropylcarbonyl)-alpha,alpha-dimethylbenzeneacetic acid Specification