Conditions | Yield |
---|---|
With chlorine; calcium carbonate In water at 110℃; Reagent/catalyst; Temperature; | 95.6% |
With methanol; sulfuryl dichloride In dichloromethane | 85% |
With sulfuryl dichloride |
(C4H9)3SnOCH(CH2Cl)2
A
tributyltin chloride
B
chloroacetone
C
epichlorohydrin
Conditions | Yield |
---|---|
63% decompn. at 210°C (1 h); | A n/a B 5% C 95% |
Conditions | Yield |
---|---|
With trichloroisocyanuric acid; boron trifluoride diethyl etherate In acetic acid for 1h; Heating; Yields of byproduct given; | A n/a B 88% |
With water; chlorine; calcium carbonate |
Conditions | Yield |
---|---|
With sulfuric acid for 3h; Heating; | 85% |
Conditions | Yield |
---|---|
With HT4-c823 In water at 149.84℃; under 750.075 Torr; for 0.5h; Catalytic behavior; Reagent/catalyst; Temperature; Flow reactor; chemoselective reaction; | A 18.9% B 80.5% |
Conditions | Yield |
---|---|
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane for 1h; Ambient temperature; | A 50% B 14% |
diazoacetone
N,N-dimethyl-formamide
A
chloroacetone
B
2-diazo-3-oxobutanal
Conditions | Yield |
---|---|
With oxalyl dichloride In dichloromethane for 1h; Ambient temperature; | A 50% B 14% |
diazoacetone
B
hydroxy-2-propanone
C
chloroacetone
D
1,1'-oxydi(propan-2-one)
Conditions | Yield |
---|---|
With hydrogenchloride; gallium(III) trichloride; water In dichloromethane at 20℃; for 0.0833333h; | A 34% B 8% C 20% D 31% |
cis/trans-3,5-Bis-(chloromethyl)-3-fluoro-5-methyl-1,2,4-trioxolane
A
chloroacetone
B
chloroacetyl chloride
Conditions | Yield |
---|---|
With triphenylphosphine In chloroform-d1 | A 28 % Spectr. B 23 % Spectr. C 33% |
{Pd2(μ-H)(COCH3)2(μ-dppm)2}BPh4
Pd2(CH3)2(Cl)2(μdppm)2
B
acetaldehyde
C
chloroacetone
Conditions | Yield |
---|---|
In dichloromethane warming of {Pd2(μ-H)(COCH3)2(dppm)2}BPh4 in CH2Cl2 (23°C, 24 h); | A 32% B n/a C n/a |
Conditions | Yield |
---|---|
With chlorine at 0 - 10℃; Kochen des Reaktionsprodukts mit Wasser; |
Conditions | Yield |
---|---|
With sulfuric acid Destillieren der Loesung mit Wasser; |
Conditions | Yield |
---|---|
With hydrogenchloride; diethyl ether | |
Stage #1: diazoacetone With ethylaluminum dichloride In hexane; dichloromethane at 20℃; for 0.0166667h; Stage #2: With methanol In hexane; dichloromethane |
Conditions | Yield |
---|---|
With water; chlorine |
chloroform
1,4-dichloro-2-methyl-2-butene
A
2-chloroethanal
B
chloroacetone
Conditions | Yield |
---|---|
beim Ozonisierung und Behandeln des Ozonids mit Wasser bei 75-80grad; |
Conditions | Yield |
---|---|
bei der Ozonspaltung; |
Conditions | Yield |
---|---|
beim Destillieren unter gewoehnlichem Druck; |
Conditions | Yield |
---|---|
With water |
Conditions | Yield |
---|---|
at -20℃; |
Conditions | Yield |
---|---|
With N-oxo-N-nitrosoamine at 280℃; under 367754 Torr; |
Conditions | Yield |
---|---|
With chromic acid | |
With ruthenium(IV) oxide; sodium chloride In water; ethyl acetate electrooxidation; | |
With sodium hydroxide; N-bromoacetamide In water at 24.9℃; Mechanism; Kinetics; Thermodynamic data; var. of temp. (Tab. VI); ΔH(excit.), ΔS(excit.), ΔF(excit.); |
methyloxirane
chloroacetone
Conditions | Yield |
---|---|
With chlorine at 0℃; |
Conditions | Yield |
---|---|
With hydrogenchloride 1.) ether, 2 h, -20 to 0 deg C, 2.) -20 deg C to room temp.; Multistep reaction; |
Conditions | Yield |
---|---|
for 48h; |
1,3-Dichloro-2-propanol
A
2,3-Dichloro-1-propanol
B
1,2,3-trichloropropane
C
1-chloro-3-(2-chloro-1-chloromethyl-ethoxy)-propan-2-ol
D
chloroacetone
Conditions | Yield |
---|---|
at 180℃; Product distribution; also in the presence of 1.5 percent HCl or 5percent epichlorhydrin; |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 4h; | 100% |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; for 1h; | 100% |
With potassium carbonate In tetrahydrofuran |
O-benzylhydoxylamine hydrochloride
chloroacetone
1-chloropropan-2-one O-benzyloxime
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In water at 20℃; for 5h; | 100% |
With sodium hydroxide In methanol 2.) room temp., 5 h; | 91% |
2,6-dimethyl-1,5-dihydroxynaphthalene
chloroacetone
2,6-Dimethyl-1,5-bis(2-oxopropoxy)naphthalene
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide Ambient temperature; | 100% |
2,6-Dipropyl-1,5-naphthalenediol
chloroacetone
2,6-Dipropyl-1,5-bis(2-oxopropoxy)naphthalene
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide Ambient temperature; | 100% |
Diethyl 2-methyl-2-(4-thiocarbamoylphenyl)malonate
chloroacetone
Diethyl 2-methyl-2-<4-(4-methylthiozol-2-yl)phenyl>malonate
Conditions | Yield |
---|---|
In benzene for 3.25h; Heating; | 100% |
chloroacetone
1-trimethylsilylpyrazole
Conditions | Yield |
---|---|
at 80℃; for 1h; | 100% |
chloroacetone
1-trimethylsilyl-1,2,4-triazole
Conditions | Yield |
---|---|
at 100℃; for 1h; | 100% |
chloroacetone
1-(trimethylsilyl)-1H-benzotriazole
Conditions | Yield |
---|---|
at 100℃; for 1h; | 100% |
chloroacetone
5-(4-pyridinyl)-1,3,4-oxadiazole-2-thiol
1-(5-Pyridin-4-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-propan-2-one
Conditions | Yield |
---|---|
With sodium hydroxide for 12h; Ambient temperature; | 100% |
8-Chloro-2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one
chloroacetone
Conditions | Yield |
---|---|
With potassium hydroxide; tetrabutylammomium bromide In tetrahydrofuran Ambient temperature; | 100% |
chloroacetone
6-Fluoro-4-methyl-2-phenyl-thieno[2,3-d]pyrimidin-5-ylamine
6-acetyl-5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidine
Conditions | Yield |
---|---|
With potassium carbonate | 100% |
Conditions | Yield |
---|---|
at 60℃; for 12h; Solid phase reaction; substitution; | 100% |
chloroacetone
5-(2-chlorophenyl)-3-mercapto-2-cyclohexen-1-one
5-(2-chlorophenyl)-3-[(2-oxopropyl)thio]-2-cyclohexen-1-one
Conditions | Yield |
---|---|
With sodium ethanolate In ethanol at 20℃; for 5h; | 100% |
With sodium ethanolate In ethanol at 20℃; for 5h; |
Conditions | Yield |
---|---|
With sodium hydride In dimethyl sulfoxide | 100% |
With sodium hydride In dimethyl sulfoxide at 20℃; | 23% |
2-bromo-4-fluoro-phenol
chloroacetone
1-(2-bromo-4-fluorophenoxy)propan-2-one
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In tetrahydrofuran for 4h; Heating / reflux; | 100% |
With potassium carbonate; potassium iodide In tetrahydrofuran for 4h; Heating / reflux; | 100% |
With potassium carbonate In N,N-dimethyl-formamide at 0 - 20℃; | 59% |
With potassium carbonate; potassium iodide In acetone at 55℃; for 2h; | |
With potassium iodide; potassium carbonate In tetrahydrofuran; ethyl acetate | 2.7 gm (100%) |
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In acetone at 0 - 20℃; for 1h; Heating / reflux; | 100% |
N-[4-({[tert-butyl(dimethyl)silyl]oxy}methyl)pyridin-2-yl]thiourea
chloroacetone
{2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-4-yl}methanol
Conditions | Yield |
---|---|
In ethanol for 16h; Heating / reflux; | 100% |
In ethanol for 16h; Heating / reflux; | 100% |
In ethanol for 16h; Heating / reflux; Under nitrogen; | 100% |
2-Cyclopropylamino-4,6-difluoro-benzoic acid
chloroacetone
2-Cyclopropylamino-4,6-difluoro-benzoic acid 2-oxo-propyl ester
Conditions | Yield |
---|---|
Stage #1: 2-Cyclopropylamino-4,6-difluoro-benzoic acid With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 1h; Stage #2: chloroacetone In N,N-dimethyl-formamide at 20 - 55℃; for 1.5h; | 100% |
1-(5-bromo-3-(phenylthio)pyridin-2-yl)thiourea
chloroacetone
N-(5-bromo-3-(phenylthio)pyridin-2-yl)-4-methylthiazol-2-amine
Conditions | Yield |
---|---|
With triethylamine In ethanol at 70℃; for 6h; | 100% |
tert-butyl (S)-1-amino-3-(1H-indol-3-yl)-1-thioxopropan-2-yl carbamate
chloroacetone
tert-butyl [(S)-1-(4-hydroxy-4-methyl-4,5-dihydro-thiazol-2-yl)-2-(1H-indol-3-yl)-ethyl]-carbamate
Conditions | Yield |
---|---|
With potassium hydrogencarbonate In 1,2-dimethoxyethane at 45 - 70℃; | 100% |
C9H9ClOS
chloroacetone
1-(4-chloro-1H-benzo[b]thiophen-2-yl)ethanone
Conditions | Yield |
---|---|
With calcium oxide In acetone at 59℃; | 100% |
With calcium oxide for 3h; Reflux; |
2-(ethylsulfanyl)benzenecarbaldehyde
chloroacetone
2-acetyl benzo[b]thiophene
Conditions | Yield |
---|---|
With calcium oxide In acetone at 59℃; | 100% |
With calcium oxide for 3h; Reflux; |
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 60℃; for 20h; | 100% |
With sodium hydrogencarbonate In toluene at 110 - 120℃; for 3h; Inert atmosphere; | 22.2% |
Conditions | Yield |
---|---|
With N,N-dimethyl-formamide In water at 0 - 5℃; Inert atmosphere; | 100% |
chloroacetone
(S)-11-thioxo-2,3,11,11a-tetrahydro-1H-benzo[e]-pyrrolo[1,2-a][1,4]diazepin-5(10H)-one
C15H16N2O2S
Conditions | Yield |
---|---|
Stage #1: (S)-11-thioxo-2,3,11,11a-tetrahydro-1H-benzo[e]-pyrrolo[1,2-a][1,4]diazepin-5(10H)-one With sodium hydride In dimethyl sulfoxide at 20℃; for 0.5h; Inert atmosphere; Stage #2: chloroacetone In dimethyl sulfoxide at 20℃; for 0.666667h; Inert atmosphere; | 100% |
2-amino-3-chloro-4-iodopyridine
chloroacetone
8-chloro-7-iodo-2-methylimidazo[1,2-a]pyridine
Conditions | Yield |
---|---|
In ethanol at 65℃; | 100% |
2,3-dimethylbromobenzene
chloroacetone
2-(2,3-dimethylphenyl)-2-methyloxirane
Conditions | Yield |
---|---|
Stage #1: 2,3-dimethylbromobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: chloroacetone In tetrahydrofuran; hexane; toluene at -78 - 20℃; for 1.33333h; Product distribution / selectivity; | 100% |
Stage #1: 2,3-dimethylbromobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: chloroacetone In tetrahydrofuran; hexane; toluene at -78 - 20℃; Product distribution / selectivity; | 100% |
1H-indole-3-carbothioamide
chloroacetone
4-methyl-2-(3-indolyl)thiazole
Conditions | Yield |
---|---|
In ethanol at 80℃; for 1.5h; Reflux; | 100% |
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane; acetonitrile at 20℃; for 8h; Reflux; | 100% |
With potassium carbonate In dichloromethane; acetonitrile for 8h; Reflux; | 100% |
With potassium carbonate In dichloromethane; acetonitrile for 8h; Reflux; |
The Chloroacetone, also known as 2-Propanone, 1-chloro-, is an chemical compound with the formula C3H5ClO. It belongs to the product categories of Pharmaceutical Intermediates; Organics. Its EINECS registry number is 201-161-1. With the CAS registry number 78-95-5, its IUPAC name is 1-chloropropan-2-one. What's more, this chemical is a colourless to dark yellow liquid.
Physical properties of Chloroacetone: (1)ACD/LogP: 0.43; (2)ACD/LogD (pH 5.5): 0.43; (3)ACD/LogD (pH 7.4): 0.43; (4)ACD/BCF (pH 5.5): 1.24; (5)ACD/BCF (pH 7.4): 1.24; (6)ACD/KOC (pH 5.5): 40.57; (7)ACD/KOC (pH 7.4): 40.57; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.396; (11)Molar Refractivity: 20.82 cm3; (12)Molar Volume: 86.5 cm3; (13)Surface Tension: 25.7 dyne/cm; (14)Density: 1.068 g/cm3; (15)Flash Point: 27.8 °C; (16)Enthalpy of Vaporization: 35.82 kJ/mol; (17)Boiling Point: 120 °C at 760 mmHg; (18)Vapour Pressure: 15.5 mmHg at 25°C.
Preparation: this reaction will use acetone as raw materials. It will need chlorine which should be decompose produced by potassium chlorate and hydrogen chloride.
3CH3COCH3 + KClO3 + 3HCl → 3CH3COCH2Cl + KCl + 3H2O
Uses: Chloroacetone is used to make dye couplers for colour photography, and is an intermediate in chemical manufacturing. It is also used in the Feist-Benary synthesis of furans.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CCl
(2)InChI: InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
(3)InChIKey: BULLHNJGPPOUOX-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | skin | 100uL/kg (0.1mL/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
human | LCLo | inhalation | 605ppm/10M (605ppm) | National Technical Information Service. Vol. PB214-270, | |
mouse | LD50 | intraperitoneal | 92mg/kg (92mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TREMOR | Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 695, 1987. |
mouse | LD50 | oral | 127mg/kg (127mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: ATAXIA | American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986. |
rabbit | LD50 | skin | 141mg/kg (141mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986. |
rat | LC50 | inhalation | 262ppm/1H (262ppm) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: ATAXIA | American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986. |
rat | LD50 | intraperitoneal | 80mg/kg (80mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TREMOR | Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 695, 1987. |
rat | LD50 | oral | 100mg/kg (100mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986. |
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