1-Chloropinacolone supplier | CasNO.13547-70-1

Name
1-Chloropinacolone
EINECS 236-920-6
CAS No. 13547-70-1
Article Data11
CAS DataBase
Density 0.988 g/cm³
Solubility Not miscible in water.
Melting Point -13 °C(lit.)
Formula C₆H₁₁ClO
Boiling Point 171.5 °C at 760 mmHg
Molecular Weight 134.606
Flash Point 61.8 °C
Transport Information UN 2810
Appearance clear slightly yellow liquid
Safety 26-36-45-38-36/37/39-28A
Risk Codes 22-23-36/37/38-26-24
Molecular Structure
Hazard Symbols T,T+,Xi
Synonyms 1-Chloro-3,3-dimethyl-2-butanone;3,3-Dimethyl-2-oxobutyl chloride;Chloromethyl tert-butylketone;tert-Butyl chloromethyl ketone;a-Chloropinacolone;
PSA 17.07000
LogP 1.84040

Synthetic route

: 75-97-8
3,3-dimethyl-butan-2-one

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
With chlorine In methanol; (2S)-N-methyl-1-phenylpropan-2-amine hydrate	92%
With p-toluenesulfonyl chloride; lithium diisopropyl amide In tetrahydrofuran -78 deg C to room t., 1 h;	65%
With hydrogenchloride; sodium chlorate at 0℃; for 1h;	48.8%

: 112449-69-1
pinacoyl (4-methoxyphenyl)tellurium dichloride

A: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

B: 35684-37-8
bis(4-methoxyphenyl)ditelluride

C elemental tellurium: elemental tellurium

Conditions

Conditions	Yield
at 210℃; under 30 Torr; for 0.0833333h;	A 85% B n/a C n/a

...Expand

: 17510-46-2
3,3-dimethyl-2-(trimethylsilyl)oxy-1-butene

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
With copper dichloride In N,N-dimethyl-formamide 1) r.t., 3 h, 2) 50 deg C, 30 min; further reagent: FeCl3 in MeCN;	65%
Multi-step reaction with 2 steps 1: 94 percent / benzene / 10 h / Heating 2: 85 percent / 0.08 h / 210 °C / 30 Torr View Scheme

: 83759-13-1
(E)-1-chloro-3,3-dimethyl-2-methylthiobut-1-ene

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
With trifluoroacetic acid at 0℃; for 1h;	60%

: 1-chloro-3,3-dimethyl-2-methylthiobut-1-ene

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
With trifluoroacetic acid at 0℃; for 1h;	60%

: 1-chloro-3,3-dimethyl-2-p-tolylthiobut-1-ene

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
With trifluoroacetic acid at 0℃; for 1h;	60%

: 83759-14-2
(Z)-1-chloro-3,3-dimethyl-2-p-tolylthiobut-1-ene

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
With trifluoroacetic acid at 0℃; for 1h;	60%

: 75-97-8
3,3-dimethyl-butan-2-one

A: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

B: 22591-21-5
1,1-dichloro-3,3-dimethylbutan-2-one

C: 35039-88-4
1,4-dichloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
beim Chlorieren in der Dampfphase;

...Expand

: 186581-53-3, 908094-01-9
diazomethane

: 3282-30-2
pivaloyl chloride

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
(i), (ii) HCl; Multistep reaction;

: 36402-36-5
(1-dichloromethyl-2,2-dimethyl-propoxy)-trimethyl-silane

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; diethyl ether at -110 - -50℃;

: 30263-69-5
1,1-dichloro-3,3-dimethyl-2-butanol

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
With piperidine; n-butyllithium
at 130 - 140℃;
Multi-step reaction with 2 steps 1: Py / benzene / 18 h / Ambient temperature 2: nBuLi / diethyl ether; tetrahydrofuran / -110 - -50 °C View Scheme

: 14889-24-8
4-chloro-3-methoxy-2,3-dimethyl-butan-2-ol

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
With sulfuric acid

: ((E)-1-tert-butyl-2-chloro-vinyloxy)-benzene

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
With hydrogenchloride

: 76955-39-0
2-tert-Butyl-2-chlorooxirane

A: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

B: 4538-80-1
1-fluoro-3,3-dimethyl-2-butanone

Conditions

Conditions	Yield
With F In diethyl ether at -75℃;
With silver tetrafluoroborate In diethyl ether for 1h; Ambient temperature; Yield given. Yields of byproduct given;

: [1-Chloromethyl-2,2-dimethyl-prop-(E)-ylidene]-methyl-amine

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
With sulfuric acid for 0.25h;

: 917-92-0
2,2-dimethyl-3-butyne

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: CCl4 / Ambient temperature 2: 60 percent / CF3COOH / 1 h / 0 °C View Scheme
Multi-step reaction with 2 steps 1: CHCl3 / Ambient temperature 2: 60 percent / CF3COOH / 1 h / 0 °C View Scheme
Multi-step reaction with 2 steps 1: CCl4 / Ambient temperature 2: 60 percent / CF3COOH / 1 h / 0 °C View Scheme
Multi-step reaction with 2 steps 1: CHCl3 / Ambient temperature 2: 60 percent / CF3COOH / 1 h / 0 °C View Scheme

: 75-97-8
3,3-dimethyl-butan-2-one

aqueous glycolmonomethyl ether: aqueous glycolmonomethyl ether

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 78 percent / benzene / 72 h / Heating 2: 85 percent / 0.08 h / 210 °C / 30 Torr View Scheme

: 27843-27-2
2-chloro-3,3-dimethyl-1-butene

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 60.5 percent / m-chloroperbenzoic acid / CH2Cl2 / 18 h / Ambient temperature 2: AgBF4 / diethyl ether / 1 h / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: 31 percent / acide m-chloroperoxybenzoique / CH2Cl2 / 15 h / Ambient temperature 2: n-Bu3MePF / diethyl ether / -75 °C View Scheme

: 630-19-3
pivalaldehyde

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) nBuLi, (ii) /BRN= 506060/ 2: nBuLi, piperidine View Scheme

: 22591-21-5
1,1-dichloro-3,3-dimethylbutan-2-one

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: LiAlH4, Et2O 2: 130 - 140 °C View Scheme

: 16865-61-5
tert-butyl-2-chloro-acetylene

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dimethylformamide; methanol 2: aq. HCl View Scheme

: 75-97-8
3,3-dimethyl-butan-2-one

A: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

B: 22591-21-5
1,1-dichloro-3,3-dimethylbutan-2-one

Conditions

Conditions	Yield
With chlorine; hydrogenchloride at 150℃; Heating / reflux;
With chlorine; hydrogenchloride Heating / reflux;
With chlorine
With 1,3-dichloro-5,5-dimethylhydantoin; silica gel In methanol for 1h; Reflux;

: 1-chloro-3,3-dimethyl-2-phenoxy-1-butene

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
With hydrogenchloride; formic acid

: 38895-88-4
1-hydroxy-3,3-dimethylbutan-2-one

A: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

B: 1025506-09-5
4-tert-butyl-5H-[1,2,3]oxathiazole 2,2-dioxide

C: C6H13NO4S

Conditions

Conditions	Yield
With pyridine; formic acid; isocyanate de chlorosulfonyle In acetonitrile at 0 - 10℃; Inert atmosphere;

...Expand

: 75-97-8
3,3-dimethyl-butan-2-one

A: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

B: 22591-21-5
1,1-dichloro-3,3-dimethylbutan-2-one

C: 35039-88-4
1,4-dichloro-3,3-dimethyl-butan-2-one

D: 3205-31-0
2,2,5,6,6-pentamethyl-hept-4-en-3-one

E: 36965-30-7
1,1,1-trichloro-3,3-dimethyl-2-butanone

F: 35039-89-5
1,1,4-trichloro-3,3-dimethyl-butan-2-one

G: 13104-53-5
4-chloro-3,3-dimethylbutane-2-one

H: 35039-91-9
1,4-dichloro-3-chloromethyl-3-methyl-butan-2-one

I: 35039-92-0
1,1,4,4-tetrachloro-3,3-dimethyl-butan-2-one

J: 35039-93-1
1,1,4-trichloro-3-chloromethyl-3-methyl-butan-2-one

K: 1,1,1,4-tetrachloro-3-methyl-3-(chloromethyl)butan-2-one

L: 1,1,4-trichloro-3,3-bis-(chloromethyl)butan-2-one

M: C6H6Cl6O

N: C6H6Cl6O

O: 1,1,1,4,4-pentachloro-3,3-bis(chloromethyl)butane-2-one

P: 1,1,1,4,4,4-hexachloro-3-(dichloromethyl)-3-(chloromethyl)butane-2-one

Conditions

Conditions	Yield
With chlorine In tetrachloromethane for 1h; Irradiation;

...Expand

: 75-97-8
3,3-dimethyl-butan-2-one

A: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

B: 13104-53-5
4-chloro-3,3-dimethylbutane-2-one

Conditions

Conditions	Yield
With sulfuryl dichloride In tetrachloromethane at 20℃;

: 633337-86-7
3'-[4-(hydroxy)-3-methylphenyl]-3'-[4-methylthiophen-2-yl]pentane

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 633339-85-2
1-{4-[1-ethyl-1-(4-methyl-thiophen-2-yl)-propyl]-2-methyl-phenoxy}-3,3-dimethyl-butan-2-one

Conditions

Conditions	Yield
With potassium carbonate In acetone Heating / reflux;	100%
With potassium carbonate In acetone Heating / reflux;	100%

: 633337-89-0
3'-[4-(hydroxy)-3-methylphenyl]-3'-[5-methoxycarbonyl-4-methylthiophen-2-yl]pentane

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 633337-84-5
3'-[4-(2-oxo-3,3-dimethylbutoxy)-3-methylphenyl]-3'-[5-methoxycarbonyl-4-methylthiophen-2-yl]pentane

Conditions

Conditions	Yield
With potassium carbonate In acetone Heating / reflux;	100%
With potassium carbonate In acetone at 20℃; Product distribution / selectivity; Heating / reflux;	100%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 76779-98-1
1-azido-3,3-dimethyl-2-butanone

Conditions

Conditions	Yield
With sodium azide In acetone at 25℃;	100%
With sodium azide In acetone for 36h; Inert atmosphere;	79%
With sodium azide In acetone at 25℃;

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 1445854-08-9
methyl 3-(3-(3-(4-hydroxy-3-methylphenyl)pentan-3-yl)-1H-indol-6-yl)propanoate

: 1445854-09-0
methyl 3-(3-(3-(4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl)pentan-3-yl)-1H-indol-6-yl)propanoate

Conditions

Conditions	Yield
With potassium carbonate Inert atmosphere;	100%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 630-19-3
pivalaldehyde

: 42052-53-9
5-hydroxy-2,2,6,6-tetramethyl-3-heptanone

Conditions

Conditions	Yield
With samarium diiodide In tetrahydrofuran at -78℃; for 1.41667h; Reformatsky type reaction; Inert atmosphere;	99%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 2043-61-0
cyclohexanecarbaldehyde

: 65651-67-4
1-cyclohexyl-1-hydroxy-4,4-dimethylpentan-3-one

Conditions

Conditions	Yield
With samarium diiodide In tetrahydrofuran at -78℃; for 1.41667h; Reformatsky type reaction; Inert atmosphere;	99%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 106-49-0
p-toluidine

: N-(pivaloylmethyl)-4-methylaniline

Conditions

Conditions	Yield
With sodium hydrogencarbonate In N,N-dimethyl-formamide at 75℃; for 48h;	99%

: 95903-37-0
7-hydroxy-3-methoxycarbonylmethyl-4-methyl-2H-chromen-2-one

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 664365-85-9
methyl [4-methyl-7-(3',3'-dimethyl-2'-oxobutoxy)-2-oxo-2H-benzopyran-3-yl]-acetate

Conditions

Conditions	Yield
With triethylamine In water at 130℃; for 0.333333h; Microwave irradiation;	98%
With potassium carbonate In acetone at 50 - 56℃; Williamson reaction;	78%

: 863408-16-6
4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 853404-33-8
1-{4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}-3,3-dimethylbutan-2-one

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide for 1h;	97%
With sodium hydride In N,N-dimethyl-formamide for 21h;	97%

: 5-[1-ethyl-1-(4-hydroxy-3-methylphenyl)propyl]-3-methylthiophene-2-sulfonic acid dimethylaminemethyleneamide

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 5-{1-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]-1-ethylpropyl}-3-methylthiophene-2-sulfonic acid dimethylaminemethyleneamide

Conditions

Conditions	Yield
With potassium carbonate In butanone Heating / reflux;	97%

: 5-[1-ethyl-1-(4-hydroxy-3-methyl-phenyl)-propyl]-3-methyl-thiophene-2-sulfonic acid dimethylaminemethyleneamide

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 5-{1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-3-methyl-thiophene-2-sulfonic acid dimethylaminemethyleneamide

Conditions

Conditions	Yield
With potassium carbonate In butanone Heating / reflux;	97%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 59719-19-6
5-(4-chlorophenyl)-2,4-dihydro-3H-pyrazol-3-one

: 181067-65-2
3-(4-chlorophenyl)-l-(3, 3-dimethyl-2-oxobutyl)-4, 5-dihydropyrazol-5-one

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile	97%

: 252209-94-2
(R)-(-)-1-(2-oxo-5-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)-3-[3-(1-methyl-1-tert-butoxycarbonyl)ethylphenyl]urea

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: (R)-(-)-1-(1-tert-butylcarbonylmethyl-2-oxo-5-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)-3-[3-(1-methyl-1-tert-butoxycarbonyl)ethylphenyl]urea

Conditions

Conditions	Yield
Stage #1: (R)-(-)-1-(2-oxo-5-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)-3-[3-(1-methyl-1-tert-butoxycarbonyl)ethylphenyl]urea With sodium hydride In N,N-dimethyl-formamide for 1h; Stage #2: 1-chloro-3,3-dimethyl-butan-2-one In N,N-dimethyl-formamide at 20℃; for 1.5h;	97%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 38895-88-4
1-hydroxy-3,3-dimethylbutan-2-one

Conditions

Conditions	Yield
With potassium hydroxide In tetrahydrofuran; water at 40 - 60℃; Reagent/catalyst;	97%
With sodium hydroxide In water at 110℃; for 2h; Reagent/catalyst; Solvent;	89%

: 500-99-2
3,5-dimethoxyphenol

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 1-(3',5'-dimethoxyphenoxy)pinacolone

Conditions

Conditions	Yield
With potassium hydrogencarbonate; sodium iodide In butanone Heating;	96%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 1445853-98-4
methyl (E)-3-(5-(3-(4-hydroxy-3-methylphenyl)pentan-3-yl)-3-methylthiophen-2-yl)acrylate

: 1445853-99-5
methyl (E)-3-(5-(3-(4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl)pentan-3-yl)-3-methylthiophen-2-yl)acrylate

Conditions

Conditions	Yield
With potassium carbonate Inert atmosphere;	95%

: 773837-37-9
sodium cyanide

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 59997-51-2
trimethylacetylacetonitrile

Conditions

Conditions	Yield
With sodium carbonate; sodium iodide In methanol at 60℃; for 3h;	95%

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

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 1-(1,2,4-triazole)-yl-3,3-dimethyl-2-butanone

Conditions

Conditions	Yield
With potassium carbonate In ethyl acetate at 50℃; for 5h;	95%

: 433703-81-2
methyl 2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 664365-86-0
methyl [4,8-dimethyl-7-(3',3'-dimethyl-2'-oxobutoxy)-2-oxo-2H-benzopyran-3-yl]-acetate

Conditions

Conditions	Yield
With triethylamine In water at 130℃; for 0.333333h; Microwave irradiation;	94%
With potassium carbonate In acetone at 50 - 56℃; Williamson reaction;	81%

: 3069-67-8
2-methyl-1,3,4-oxadiazol-5(4H)-one

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 5-methyl-3-(3,3-dimethyl-2-oxo-butyl)-3H-1,3,4-oxadiazol-2-one

Conditions

Conditions	Yield
Stage #1: 2-methyl-1,3,4-oxadiazol-5(4H)-one With sodium methylate In methanol at 20℃; for 0.25h; Stage #2: 1-chloro-3,3-dimethyl-butan-2-one; tetrabutylammomium bromide In chloroform at 20℃; Heating / reflux;	94%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: sodium thiocyanate

: C7H13NOS

Conditions

Conditions	Yield
In methanol at 55℃; for 2.5h; Product distribution / selectivity;	94%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 540-72-7
sodium thiocyanide

: 57518-71-5
3,3-dimethyl-2-oxobutyl thiocyanate

Conditions

Conditions	Yield
In methanol at 55℃; for 2.5h;	94%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 1445854-13-6
methyl 3-(3-(3-(4-hydroxy-3-methylphenyl)pentan-3-yl)-1-methyl-1H-indol-6-yl)propanoate

: 1445854-14-7
methyl 3-(3-(3-(4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl)pentan-3-yl)-1-methyl-1H-indol-6-yl)propanoate

Conditions

Conditions	Yield
With potassium carbonate Inert atmosphere;	94%

: 75-97-8
3,3-dimethyl-butan-2-one

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 3205-30-9
5-hydroxy-2,2,5,6,6-pentamethylheptan-3-one

Conditions

Conditions	Yield
With samarium diiodide In tetrahydrofuran at -78℃; for 2.41667h; Reformatsky type reaction; Inert atmosphere;	93%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 45676-04-8
1-tert-butylimidazole

: 1266108-71-7
1-(tert-butyl)-3-(3,3-dimethyl-2-oxobutyl)imidazolium chloride

Conditions

Conditions	Yield
In toluene for 5h; Inert atmosphere; Schlenk technique; Reflux;	93%
In toluene for 24h; Reflux;	57%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 1445854-37-4
4-(3-(4-(benzyloxy)phenyl)pentan-3-yl)-2-methylphenol

: 1445854-38-5
1-(4-(3-(4-(benzyloxy)phenyl)pentan-3-yl)-2-methylphenoxy)-3,3-dimethylbutan-2-one

Conditions

Conditions	Yield
With potassium carbonate Inert atmosphere;	93%
With potassium carbonate In acetonitrile for 12h; Reflux;	93%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 1445854-18-1
methyl 2-(benzyloxy)-5-(3-(4-hydroxy-3-methylphenyl)-pentan-3-yl)benzoate

: 1445854-19-2
methyl 2-(benzyloxy)-5-(3-(4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl)pentan-3-yl)benzoate

Conditions

Conditions	Yield
With potassium carbonate Inert atmosphere;	93%
With potassium carbonate In acetonitrile for 12h; Reflux;	93%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 7-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazolyl-4-yl]-2H-chromen-2-one

: 7-(3,3-dimethyl-2-oxobutoxy)-3-[2-(4-methoxyphenyl)-1,3-thiazolyl-4-yl]-2-oxo-2H-chromen-7-yl acetate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide; acetone Williamson Ether Synthesis; Heating;	93%

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 103-67-3
benzyl-methyl-amine

: 877869-93-7
2-(N-benzyl-N-methylamino)-3,3-dimethyl-2-butanone

Conditions

Conditions	Yield
In 1,2-dimethoxyethane Heating;	92%

1-Chloropinacolone Chemical Properties

Molecule structure of 1-Chloropinacolone (CAS NO.13547-70-1):

IUPAC Name: 1-Chloropinacolone
Molecular Weight: 134.60394 g/mol
Molecular Formula: C₆H₁₁ClO
Density: 0.988 g/cm³
Melting Point: −13 °C(lit.)
Boiling Point: 171.5 °C at 760 mmHg
Flash Point: 61.8 °C
Index of Refraction: 1.423
Molar Refractivity: 34.69 cm³
Molar Volume: 136.1 cm³
Polarizability: 13.75×10^-24 cm³
Surface Tension: 26.7 dyne/cm
Enthalpy of Vaporization: 40.79 kJ/mol
Vapour Pressure: 1.39 mmHg at 25 °C
XLogP3-AA: 2
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 134.049843
MonoIsotopic Mass: 134.049843
Topological Polar Surface Area: 17.1
Heavy Atom Count: 8
Complexity: 91.2
Canonical SMILES: CC(C)(C)C(=O)CCl
InChI: InChI=1S/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
InChIKey: ULSAJQMHTGKPIY-UHFFFAOYSA-N
EINECS: 236-920-6

1-Chloropinacolone Uses

1-Chloropinacolone (CAS NO.13547-70-1) is used as intermediates of medicine, pesticide, etc.

1-Chloropinacolone Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LC50	inhalation	4600mg/m3 (4600mg/m³)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 91, 1987.
mouse	LD50	oral	355mg/kg (355mg/kg)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 91, 1987.
rabbit	LD50	oral	675mg/kg (675mg/kg)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 91, 1987.
rat	LD50	oral	550mg/kg (550mg/kg)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 91, 1987.

1-Chloropinacolone Safety Profile

Hazard Codes: Toxic T, Very T+, Irritant Xi
Risk Statements: 22-23-36/37/38-26-24
R22:Harmful if swallowed.
R23 :Toxic by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin.
R26:Very toxic by inhalation.
R34:Causes burns.
Safety Statements: 26-36-45-38-36/37/39-28A
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S38:In case of insufficient ventilation, wear suitable respiratory equipment.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S28:After contact with skin, wash immediately with plenty of soap-suds.
RIDADR: UN 2810
WGK Germany: 3
RTECS: EL7078000
HazardClass: 6.1
PackingGroup: III

1-Chloropinacolone Specification

1-Chloropinacolone (CAS NO.13547-70-1) is also maned as 1-Chloro-3,3-dimethyl-2-butanone ; 1-Chloropinacolone ; 1-Monochloropinacoline ; Chloromethyl tert-butyl ketone ; Chlorpinakolin ; alpha-Chloropinacolin ; alpha-Chloropinacoline ; tert-Butyl chloromethyl ketone . 1-Chloropinacolone (CAS NO.13547-70-1) clear slightly yellow liquid.

Product Name

1-Chloropinacolone

Synthetic route

1-Chloropinacolone Chemical Properties

1-Chloropinacolone Uses

1-Chloropinacolone Toxicity Data With Reference

1-Chloropinacolone Safety Profile

1-Chloropinacolone Specification

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