Conditions | Yield |
---|---|
With aluminum (III) chloride In chloroform at 0 - 20℃; Inert atmosphere; | 99% |
With aluminum (III) chloride In carbon disulfide at 0 - 20℃; Friedel Crafts acylation; Inert atmosphere; | 95% |
Friedel-Crafts alkylation; | 90% |
Conditions | Yield |
---|---|
With aluminium dodecatungsten phosphate at 60 - 70℃; for 6h; | 91% |
With nano-sulfated titania at 50℃; for 2h; Friedel Crafts acylation; neat (no solvent); | 85% |
With lithium perchlorate; hafnium tetrakis(trifluoromethanesulfonate) In nitromethane Ambient temperature; | 66% |
Conditions | Yield |
---|---|
With 9,10-dimethoxyanthracene In acetonitrile at 20℃; Inert atmosphere; Irradiation; | 80% |
S-(2-(3,4-dimethoxyphenyl)-2-oxoethyl) O-ethyl carbonodithioate
A
3-Phenyl-1-propanol
B
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
In isopropyl alcohol for 15h; Irradiation; Inert atmosphere; | A 77% B 79% |
Conditions | Yield |
---|---|
With iron(II) chloride In ethanol at 80℃; for 4h; | 78% |
1-(2,5-dimethylphenyl)-2-fluoroethanone
A
1-(2,5-dimethylphenyl)-1-ethanone
B
2-(1-Ethylsulfanyl-vinyl)-1,4-dimethyl-benzene
C
2-(1,1-Bis-ethylsulfanyl-ethyl)-1,4-dimethyl-benzene
Conditions | Yield |
---|---|
With aluminium trichloride; ethanethiol In dichloromethane at 0℃; for 0.25h; | A 11% B 53% C 8% |
1-(2,5-dimethylphenyl)-2-fluoroethanone
ethane-1,2-dithiol
A
1-(2,5-dimethylphenyl)-1-ethanone
B
2-(1-Ethylsulfanyl-vinyl)-1,4-dimethyl-benzene
C
2-(1,1-Bis-ethylsulfanyl-ethyl)-1,4-dimethyl-benzene
Conditions | Yield |
---|---|
With aluminium trichloride In dichloromethane at 0℃; for 0.25h; | A 11% B 53% C 8% |
2,5-dimethylphenacyl chloride
ethanethiol
A
1-(2,5-dimethylphenyl)-1-ethanone
B
2-(1-Ethylsulfanyl-vinyl)-1,4-dimethyl-benzene
C
2-(1,1-Bis-ethylsulfanyl-ethyl)-1,4-dimethyl-benzene
Conditions | Yield |
---|---|
With aluminium trichloride In dichloromethane at 0℃; for 0.333333h; | A 11% B 53% C 8% |
1-(2,5-dimethylphenyl)-2-fluoroethanone
ethanethiol
A
1-(2,5-dimethylphenyl)-1-ethanone
B
2-(1-Ethylsulfanyl-vinyl)-1,4-dimethyl-benzene
C
2-(1,1-Bis-ethylsulfanyl-ethyl)-1,4-dimethyl-benzene
Conditions | Yield |
---|---|
With aluminium trichloride In dichloromethane at 0℃; for 0.25h; | A 11% B 53% C 8% |
1-(2,5-dimethyl-2-hydroxy-5-nitrocyclohexyl)ethanone
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene for 15h; Aromatization; Heating; | 53% |
Conditions | Yield |
---|---|
With europium(III) bis(trifluoromethylsulfonyl)imide at 250℃; for 8h; Friedel-Crafts acylation reaction; | 48% |
With europium(III) bis(trifluoromethylsulfonyl)imide at 250℃; for 8h; Friedel-Crafts acylation; | 48% |
S-(2-(2,5-dimethylphenyl)-2-oxoethyl) O-ethyl carbonodithioate
A
bis-ethoxythiocarbonyldisulfane
B
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
In acetonitrile for 15h; Irradiation; Inert atmosphere; | A 35% B 20% C 32% |
p-CH3C6H4CH2HgCl
acetyl chloride
A
p-Tolylaceton
B
para-xylene
C
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
With aluminum tri-bromide In dichloromethane at -30℃; for 1.5h; Title compound not separated from byproducts; | A 50 % Chromat. B n/a C 12 % Chromat. D 25% |
2,5-dimethylacetophenone oxime
acetylene
A
1-(2,5-dimethylphenyl)-1-ethanone
B
N-vinyl-2-(2,5-dimethylphenyl)pyrrole
C
2-(2,5-Dimethylphenyl)pyrrole
D
O-vinyl-2,5-dimethylacetophenone oxime
Conditions | Yield |
---|---|
With potassium hydroxide; dimethyl sulfoxide at 70℃; under 760 Torr; for 6h; | A 0.2 g B n/a C 21% D 10% |
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
With sodium hydroxide |
Conditions | Yield |
---|---|
With thorium dioxide at 430 - 450℃; |
para-xylene
2-acetoxy-2-methylpropanoyl chloride
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
With aluminium trichloride |
Conditions | Yield |
---|---|
With Co catalyst; oxygen |
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
palladium on activated charcoal at 200℃; for 5h; |
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
palladium on activated charcoal at 200℃; for 5h; |
aluminium trichloride
para-xylene
1,2-dichloro-ethane
acetyl chloride
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
at 25℃; Kinetics; |
hydrogenchloride
2,5-dimethylacetophenone oxime
A
1-(2,5-dimethylphenyl)-1-ethanone
B
2,5-Dimethylaniline
Conditions | Yield |
---|---|
Product distribution; |
2,5-dimethylphenacyl benzoate
A
sodium benzoate
B
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
With cetyltrimethylammonim bromide; sodium carbonate In benzene at 20℃; for 14h; Product distribution; Photolysis; |
2,5-dimethylphenacyl palmitate
A
1-(2,5-dimethylphenyl)-1-ethanone
B
sodium palmitate
Conditions | Yield |
---|---|
With cetyltrimethylammonim bromide; sodium carbonate In benzene at 20℃; for 12h; Product distribution; Photolysis; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 18 percent 2: 11 percent / aluminium chloride/ethanethiol / CH2Cl2 / 0.25 h / 0 °C View Scheme | |
Multi-step reaction with 2 steps 1: 18 percent 2: 11 percent / aluminium chloride / CH2Cl2 / 0.25 h / 0 °C View Scheme | |
Multi-step reaction with 2 steps 1: 18 percent 2: 11 percent / aluminium chloride / CH2Cl2 / 0.25 h / 0 °C View Scheme | |
Multi-step reaction with 2 steps 1: AlCl3 2: concentrated NaOH-solution View Scheme |
2,5-dimethylbenzonitrile
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aqueous sulfuric acid 2: thorium oxide / 430 - 450 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 2: O2, Co catalyst View Scheme |
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
With potassium formate; RuCl[(S,S)-2',6'-Me2PhCH2SO2dpen](p-cymene); tetrabutylammomium bromide In water at 50℃; for 24h; Product distribution / selectivity; Inert atmosphere; | 100% |
2-Aminobenzyl alcohol
1-(2,5-dimethylphenyl)-1-ethanone
2-(2,5-dimethylphenyl)quinoline
Conditions | Yield |
---|---|
With iron(III) oxide; potassium tert-butylate In toluene for 15h; Inert atmosphere; Sealed tube; | 97% |
With pyridine; potassium hydroxide In 1,4-dioxane at 135℃; for 1h; Inert atmosphere; Schlenk technique; | 51% |
1-(2,5-dimethylphenyl)-1-ethanone
benzaldehyde
(E)-1-(2,5-dimethylphenyl)-3-phenylprop-2-en-1-one
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol; water at 0 - 20℃; for 48.16h; Aldol condensation; | 94% |
With potassium hydroxide; ethanol | |
With sodium hydroxide; ethanol |
Conditions | Yield |
---|---|
With formic acid; C18H24Cl2IrN3 In water at 20℃; for 12h; Schlenk technique; Green chemistry; | 90% |
4-(2',3',4',6'-tetra-O-acetyl-β-D-glucopyranosyl)-3-thiosemicarbazide
1-(2,5-dimethylphenyl)-1-ethanone
2-(1-(2,5-dimethylphenyl)ethylidene)-N-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)hydrazidecarbothioamide
Conditions | Yield |
---|---|
With acetic acid In isopropyl alcohol at 80℃; for 5h; | 88% |
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; copper(II) acetate monohydrate In tert-Amyl alcohol at 20 - 100℃; for 12.33h; Schlenk technique; Sealed tube; regioselective reaction; | 86% |
Conditions | Yield |
---|---|
haloform reaction; | 84% |
With nitric acid | |
With potassium hypochlorite at 60 - 70℃; |
Conditions | Yield |
---|---|
With (K-18-crown-6 ether) cyanide In acetonitrile at 20℃; for 2h; | 83.6% |
[bis(acetoxy)iodo]benzene
1-(2,5-dimethylphenyl)-1-ethanone
2-(2,5-dimethylphenyl)-2-oxoethyl acetate
Conditions | Yield |
---|---|
With palladium diacetate; acetic acid at 120℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube; | 83% |
1-(2,5-dimethylphenyl)-1-ethanone
benzyl alcohol
1-(2,5-dimethylphenyl)-3-phenylpropan-1-one
Conditions | Yield |
---|---|
With iron(III) oxide; potassium tert-butylate In toluene at 135℃; for 24h; Inert atmosphere; Sealed tube; | 83% |
Conditions | Yield |
---|---|
With sodium methylate In dimethyl sulfoxide at 50℃; for 5h; | 82% |
Conditions | Yield |
---|---|
With acetic acid In methanol at 45 - 50℃; for 1.25h; | 79.3% |
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene; scandium tris(trifluoromethanesulfonate) In tetrahydrofuran at 25℃; for 4h; Inert atmosphere; Glovebox; Sealed tube; | 75% |
1-(2,5-dimethylphenyl)-1-ethanone
1,3,5-tris(2,5-dimethylphenyl)benzene
Conditions | Yield |
---|---|
With bismuth(III) trifluoromethanesulfonate tetrahydrate at 140℃; for 13h; Reflux; | 70% |
ethyl 2-diazo-3-oxo-4,4,4-trifluorobutyrate
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
With copper hydroxide; 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 25℃; for 4h; Glovebox; Inert atmosphere; Sealed tube; regioselective reaction; | 69% |
With copper(l) cyanide; 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 50℃; for 10h; Inert atmosphere; Sealed tube; | 45% |
Conditions | Yield |
---|---|
Stage #1: ethyl bromide With magnesium In diethyl ether Metallation; Stage #2: 1-(2,5-dimethylphenyl)-1-ethanone In diethyl ether Grignard reaction; | 68% |
thiophene-2-carbodithioic acid methyl ester
1-(2,5-dimethylphenyl)-1-ethanone
(Z)-3-(2,5-dimethylphenyl)-3-hydroxy-1-(thiophen-2-yl)prop-2-ene-1-thione
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 1h; Inert atmosphere; | 67% |
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); potassium acetate; silver fluoride; triphenylphosphine In hexane at 140℃; for 20h; Sealed tube; Inert atmosphere; | 66% |
With tetrakis(triphenylphosphine) palladium(0); potassium acetate; silver fluoride; triphenylphosphine In hexane at 140℃; for 20h; Inert atmosphere; Sealed tube; | 52% |
1-(2,5-dimethylphenyl)-1-ethanone
thiourea
4-(2,5-dimethyl-phenyl)-thiazol-2-ylamine
Conditions | Yield |
---|---|
Stage #1: 1-(2,5-dimethylphenyl)-1-ethanone With bromine In chloroform for 1h; Stage #2: thiourea In ethanol at 100℃; for 0.5h; Microwave irradiation; | 65% |
With iodine; benzene |
1-(2,5-dimethylphenyl)-1-ethanone
phenylglycin
2-phenyl-5-(2,5-dimethylphenyl)oxazole
Conditions | Yield |
---|---|
With oxone; iodine In dimethyl sulfoxide at 95℃; | 63% |
1-(2,5-dimethylphenyl)-1-ethanone
2,5-Dimethylphenyl-methyl-carbinol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In diethyl ether Reduction; | 60% |
With aluminum isopropoxide; isopropyl alcohol; toluene | |
With ethanol; sodium |
Conditions | Yield |
---|---|
With di-tert-butyl peroxide; N1,N2-di((3S,5S,7S)-adamantan-1-yl)oxalamide; bis(trifluoromethane)sulfonimide lithium at 140℃; for 16h; Sealed tube; | 60% |
Conditions | Yield |
---|---|
In ethanol at 120℃; for 0.5h; Microwave irradiation; | 59% |
1-(2,5-dimethylphenyl)-1-ethanone
Conditions | Yield |
---|---|
58% |
Conditions | Yield |
---|---|
With copper(l) iodide; oxygen; acetic acid In dimethyl sulfoxide at 120℃; for 12h; Green chemistry; regioselective reaction; | 57% |
The Ethanone,1-(2,5-dimethylphenyl)-, with CAS registry number 2142-73-6, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)C10; (3)Carbonyl Compounds; (4)Ketones. It has the systematic name of 1-(2,5-dimethylphenyl)ethanone. This chemical is a kind of clear colorless to yellow liquid. What's more, its EINECS is 218-399-7.
Physical properties of Ethanone,1-(2,5-dimethylphenyl)-: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.07 Å2; (9)Index of Refraction: 1.51; (10)Molar Refractivity: 45.93 cm3; (11)Molar Volume: 153.5 cm3; (12)Polarizability: 18.2×10-24cm3; (13)Surface Tension: 32.9 dyne/cm; (14)Density: 0.965 g/cm3; (15)Flash Point: 88.8 °C; (16)Enthalpy of Vaporization: 46.72 kJ/mol; (17)Boiling Point: 230.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0653 mmHg at 25°C.
Preparation: this chemical can be prepared by acetyl chloride and 1,4-dimethyl-benzene. This reaction will need reagents AlCl3, carbon disulfide.
Uses of p-Chloropropiophenone: it can be used to produce 1-(2,5-dimethyl-phenyl)-ethanol. This reaction will need reagent LiAlH4.
When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(2,5-dimethylphenyl)- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation and if swallowed, so avoid contact with skin and eyes. And do not breathe vapour.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)c1cc(C)ccc1C
(2)InChI: InChI=1/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3
(3)InChIKey: AWKBVLVKQQRRFQ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3
(5)Std. InChIKey: AWKBVLVKQQRRFQ-UHFFFAOYSA-N
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