1-(4-Chlorophenyl)-2-cyclopropylpropan-1-one supplier

Name
1-(4-Chlorophenyl)-2-Cyclopropylpropanon-1
EINECS
CAS No. 123989-29-7
Article Data19
CAS DataBase
Density 1.181g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃ClO
Boiling Point 310.269 °C at 760 mmHg
Molecular Weight 208.688
Flash Point 166.719 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-chlorophenyl)-2-cyclopropylpropanone;1-Propanone,1-(4-chlorophenyl)-2-cyclopropyl;
PSA 17.07000
LogP 3.56880

Synthetic route

: C12H12Cl2

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 35 - 40℃; for 4h; Reagent/catalyst;	98%

: C12H12BrCl

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 20 - 30℃; for 2h; Reagent/catalyst;	98%

: 123989-28-6
1-(4-chlorophenyl)-2-cyclopropyl-1-propanol

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With aluminum isopropoxide; acetone In isopropyl alcohol for 5h; Reagent/catalyst; Solvent; Reflux;	94.5%

: 765-43-5
Cyclopropyl methyl ketone

: C14H22ClO5P

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With sodium methylate In methanol at 20 - 40℃; for 5h; Solvent; Temperature; Reagent/catalyst;	93%

: 1-chloro-4-(2-cyclopropyl-1-acetoxy-propen-1-yl)benzene

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 20℃; for 8h;	93%

: 1-chloro-4-(2-cyclopropyl-1-trimethylsiloxypropen-1-yl)benzene

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With hydrogenchloride In water; toluene at 20℃; for 5h; Solvent; Reagent/catalyst;	92.5%

: 1-chloro-4-(2-cyclopropyl-1-methylsulfonylpropen-1-yl)benzene

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With phosphoric acid In toluene at 20℃; for 7h;	92.3%

: C17H21ClO2

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In ethanol at 40℃; for 1h; Reagent/catalyst; Temperature; Solvent;	92%

: C5H9ClMg

: 122-01-0
4-chloro-benzoyl chloride

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With iron(III)-acetylacetonate In tetrahydrofuran; tert-butyl methyl ether at 30℃; for 2h; Temperature; Solvent; Reagent/catalyst;	91%

: 874-59-9
4-chlorobenzoyl bromide

: C5H9ClMg

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With iron(III)-acetylacetonate In tetrahydrofuran at -30℃; for 2h; Temperature; Solvent;	90.1%

: 80204-20-2
1-bromo-1-cyclopropylethane

: 122334-37-6
4-chloro-N-methoxy-N-methylbenzamide

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
Stage #1: 1-bromo-1-cyclopropylethane With magnesium In tetrahydrofuran at 20℃; for 3h; Stage #2: 4-chloro-N-methoxy-N-methylbenzamide In tetrahydrofuran at -20℃; for 3h;	88.2%

: 79-37-8
oxalyl dichloride

SiO2, hexane-ethyl acetate: SiO2, hexane-ethyl acetate

: 123989-28-6
1-(4-chlorophenyl)-2-cyclopropyl-1-propanol

: 67-68-5
dimethyl sulfoxide

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With triethylamine In hexane; dichloromethane	86%

...Expand

: C6H11NO

: 2028-74-2
p-chlorobenzenediazonium chloride

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
Stage #1: C6H11NO; p-chlorobenzenediazonium chloride With ammonium acetate; copper(II) sulfate at -10℃; for 0.5h; Stage #2: With sulfuric acid at 90℃; for 2h;	86%

: 5508-41-8
cyclopropyl methyl ketone tosyl hydrazone

: 104-88-1
4-chlorobenzaldehyde

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With sodium hydrogencarbonate; lithium chloride In chloroform at 61℃; for 20h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;	82%

: C6H12N2O2S

: 104-88-1
4-chlorobenzaldehyde

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate In 1,4-dioxane at 110℃; for 6h; Inert atmosphere;	82%

: 765-43-5
Cyclopropyl methyl ketone

: 104-88-1
4-chlorobenzaldehyde

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
Stage #1: 4-chlorobenzaldehyde With triethylamine; phosphonic acid diethyl ester In toluene at 20 - 25℃; for 6h; Stage #2: Cyclopropyl methyl ketone With sodium amide In toluene at 30 - 35℃; for 18h; Temperature; Solvent; Reagent/catalyst;	80.9%

: C11H14N2O2S

: 104-88-1
4-chlorobenzaldehyde

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate In 1,4-dioxane at 110℃; for 6h; Inert atmosphere;	78.5%

: C9H12N2O2S2

: 104-88-1
4-chlorobenzaldehyde

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate In 1,4-dioxane at 110℃; for 6h; Inert atmosphere;	78%

: C10H13N3O2S

: 104-88-1
4-chlorobenzaldehyde

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate In 1,4-dioxane at 110℃; for 6h; Inert atmosphere;	77%

: C10H14N2O2S2

: 104-88-1
4-chlorobenzaldehyde

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate In 1,4-dioxane at 110℃; for 6h; Inert atmosphere;	77%

: C13H14ClN

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride; oxygen; potassium hydroxide In toluene at 80℃; for 6h; Reagent/catalyst; Temperature;	75%

: 104-88-1
4-chlorobenzaldehyde

: 119393-22-5, 119393-23-6
5-cyclopropyl-2-methoxy-2,5-dimethyl-Δ3-1,3,4-oxadiazoline

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
In dichloromethane at 20℃; under 5171.62 Torr; Inert atmosphere; UV-irradiation;	63%

hexane-washed sodium hydride: hexane-washed sodium hydride

: 54839-12-2
4-chlorophenyl-(cyclopropylmethyl)-ketone

: 74-88-4
methyl iodide

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
In N-methyl-acetamide

...Expand

: 54839-12-2
4-chlorophenyl-(cyclopropylmethyl)-ketone

: 74-88-4
methyl iodide

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
Stage #1: 4-chlorophenyl-(cyclopropylmethyl)-ketone With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: methyl iodide In N,N-dimethyl-formamide at -20 - 20℃; for 12.5h;

: 2403-61-4
p-chlorobenzaldehyde diethyl acetal

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: zinc(II) chloride / dichloromethane / 60 h / -10 - 20 °C 2.1: sodium amide / dimethyl sulfoxide / 0.5 h / 20 °C 2.2: 4 h / 20 - 30 °C 3.1: hydrogenchloride; water / methanol / 4 h / 20 °C View Scheme

: α-ethoxy-p-chlorobenzylphosphonic acid dimethyl ester

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium amide / dimethyl sulfoxide / 0.5 h / 20 °C 1.2: 4 h / 20 - 30 °C 2.1: hydrogenchloride; water / methanol / 4 h / 20 °C View Scheme

: 765-43-5
Cyclopropyl methyl ketone

: 92594-58-6
α-methoxy-p-chlorobenzylphosphonic acid diethyl ester

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium tert-butylate / N,N-dimethyl-formamide / 7 h / 10 - 30 °C 2: hydrogenchloride; water / toluene / 10 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran / 0.17 h / -78 °C 1.2: 3 h / -78 - 20 °C 2.1: trifluoroacetic acid / 12 h / 20 °C View Scheme

: 1-chloro-4-(2-cyclopropyl-1-methoxypropene-1-yl)benzene

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With hydrogenchloride; water In toluene at 20℃; for 10h; Solvent;	30.2 g
With trifluoroacetic acid at 20℃; for 12h;

: 1-chloro-4-(2-cyclopropyl-1-ethoxypropene-1-yl)benzene

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

Conditions

Conditions	Yield
With hydrogenchloride; water In methanol at 20℃; for 4h;	10.4 g

: 288-88-0
1,2,4-Triazole

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

: 94361-06-5, 113096-99-4
cyproconazol

Conditions

Conditions	Yield
Stage #1: 1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one With dimethylsulfide; sodium methylate; dimethyl sulfate In acetonitrile at 20℃; for 10h; Stage #2: 1,2,4-Triazole With sodium hydride In N,N-dimethyl-formamide for 12h; Time; Reflux;	74.6%

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

: 557-91-5
1,1-Dibromoethane

: 1615196-91-2
2-(4-chlorophenyl)-2-(1-cyclopropylethyl)-3-methyloxirane

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃;	73%

: 123989-29-7
1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one

: 75-18-3
dimethylsulfide

: 94361-26-9
2-(4-chlorophenyl)-3-cyclopropyl-1,2-butylene oxide

Conditions

Conditions	Yield
Stage #1: dimethylsulfide With dimethyl sulfate In acetonitrile at 0 - 20℃; for 16h; Stage #2: 1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one With potassium hydroxide In dimethyl sulfoxide; acetonitrile at 20℃; for 16h;
With dimethyl sulfate; potassium hydroxide In 2-methyl-propan-1-ol

1-(4-Chlorophenyl)-2-cyclopropylpropan-1-one Specification

The 1-Propanone,1-(4-chlorophenyl)-2-cyclopropyl-, with the CAS registry number 123989-29-7, has the systematic name of 1-(4-chlorophenyl)-2-cyclopropylpropan-1-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₂H₁₃ClO.

The characteristics of 1-Propanone,1-(4-chlorophenyl)-2-cyclopropyl- are as followings: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.6; (4)ACD/LogD (pH 7.4): 3.6; (5)ACD/BCF (pH 5.5): 318.1; (6)ACD/BCF (pH 7.4): 318.1; (7)ACD/KOC (pH 5.5): 2152.51; (8)ACD/KOC (pH 7.4): 2152.51; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 57.56 cm³; (15)Molar Volume: 176.7 cm³; (16)Polarizability: 22.81×10^-24cm³; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 166.7 °C; (20)Enthalpy of Vaporization: 55.11 kJ/mol; (21)Boiling Point: 310.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000607 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)C(C)C2CC2
(2)InChI: InChI=1/C12H13ClO/c1-8(9-2-3-9)12(14)10-4-6-11(13)7-5-10/h4-9H,2-3H2,1H3
(3)InChIKey: LRWCURGZPQWMRG-UHFFFAOYAX

Product Name

1-(4-Chlorophenyl)-2-Cyclopropylpropanon-1

Synthetic route

1-(4-Chlorophenyl)-2-cyclopropylpropan-1-one Specification

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