CAS No.123989-29-7,1-(4-Chlorophenyl)-2-Cyclopropylpropanon-1 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	123989-29-7
Name:	1-(4-Chlorophenyl)-2-Cyclopropylpropanon-1
Article Data:	19

Formula:	C₁₂H₁₃ClO
Molecular Weight:	208.688
Synonyms:	1-(4-chlorophenyl)-2-cyclopropylpropanone;1-Propanone,1-(4-chlorophenyl)-2-cyclopropyl;
Density:	1.181g/cm³
Boiling Point:	310.269 °C at 760 mmHg
Flash Point:	166.719 °C
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%

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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