3-Chloro-2-methylpropene supplier

Name
3-Chloro-2-methylpropene
EINECS 209-251-2
CAS No. 563-47-3
Article Data60
CAS DataBase
Density 0.897 g/cm³
Solubility 0.5 g/L (20 °C) in water
Melting Point -80 °C
Formula C₄H₇Cl
Boiling Point 72.5 °C at 760 mmHg
Molecular Weight 90.5526
Flash Point 9 °F
Transport Information UN 2554 3/PG 2
Appearance clear liquid
Safety 9-16-29-36/37/39-45-61-26
Risk Codes 11-20/22-34-43-51/53
Molecular Structure
Hazard Symbols F, C, N
Synonyms Propene,3-chloro-2-methyl- (6CI,8CI);1-Chloro-2-methyl-2-propene;2-(Chloromethyl)-1-propene;2-Methallyl chloride;2-Methyl-2-propenyl chloride;2-Methyl-3-chloro-1-propene;2-Methyl-3-chloropropene;2-Methylallyl chloride;3-Chloro-2-methyl-1-propene;1-Propene,3-chloro-2-methyl-;Isobutenyl chloride;Methallyl chloride;Methylallyl chloride;NSC 7303;b-Methallyl chloride;g-Chloroisobutylene;
PSA 0.00000
LogP 1.80130

Synthetic route

: 513-42-8
3-hydroxy-2-methyl-1-propene

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With 1,1,1,3,3,3-hexachloro-propan-2-one; triphenylphosphine In sulfolane from 10 deg C to room temp.;	95.7%
With pyridine; bis(trichloromethyl) carbonate In tetrahydrofuran Ambient temperature;	65%
With 1,1,1,3,3,3-hexachloro-propan-2-one; triphenylphosphine In sulfolane from 10 deg C to room temp., effect of reagents ratio and solvent volume discussed;

: 32670-93-2
2-methallyl diphenylphosphate

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With lithium chloride In N,N-dimethyl-formamide for 0.166667h; Ambient temperature;	64%

: Pd(CH2CHCH2)(C6H3Cl2)(As(C6H5)3)

: 107-05-1
3-chloroprop-1-ene

A: 90220-53-4
CH2CHCH2C6H3Cl2

B: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
In dichloromethane O°C, AsPh3 was added, 24 h.;	A 55% B 20%
In dichloromethane O°C, AsPh3 was added, 1.33 h.;	A 22% B 2%
In dichloromethane O°C, AsPh3 was added, 0.67 h.;	A 10% B 0%
In dichloromethane O°C, AsPh3 was added, 0.33 h.;	A 6% B 0%

...Expand

: 78538-54-2
boric acid trimethallyl ester

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With boron trichloride at 120℃;

: 628-56-8
isopropenylmethyl ether

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With hydrogenchloride; copper(l) chloride at 30 - 50℃; under 89731.9 Torr;

: 36942-09-3
N,N-dichlorourea

: 64-19-7
acetic acid

: 115-11-7
isobutene

A: 57576-87-1
acetic acid-(chloro-tert-butyl ester)

B: 563-47-3
3-Chloro-2-methylpropene

...Expand

: 36942-09-3
N,N-dichlorourea

: 115-11-7
isobutene

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With acetic acid
With trichloroacetic acid
With chloroacetic acid

: 473-29-0
N,N-Dichlorobenzenesulfonamide

: 60-29-7
diethyl ether

: 115-11-7
isobutene

: 107-07-3
2-chloro-ethanol

A: 55982-53-1
1-chloro-2-(2-chloroethoxy)-2-methylpropane

B: 563-47-3
3-Chloro-2-methylpropene

...Expand

: 115-11-7
isobutene

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
Chlorierung;
With chlorine at 0 - 70℃;
With chlorine at 0℃;

: 115-11-7
isobutene

A: 513-37-1
2-methylprop-1-enyl chloride

B: 594-37-6
1,2-dichloro-2-methylpropane

C: 507-20-0
tertiary butyl chloride

D: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
at 80℃; Chlorierung;
With chlorine In tetrachloromethane at 20℃;	A n/a B 6 % Chromat. C n/a D 77 % Chromat.

...Expand

: 115-11-7
isobutene

A: 513-37-1
2-methylprop-1-enyl chloride

B: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
bei der Chlorierung;

: 115-11-7
isobutene

A: 594-37-6
1,2-dichloro-2-methylpropane

B: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With nitrogen trichloride In dichloromethane
With chlorine at 70℃; under 760.051 Torr; for 24h; Inert atmosphere;	A 8.73 %Chromat. B 79.47 %Chromat.

: 594-37-6
1,2-dichloro-2-methylpropane

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
at 380.1℃; Kinetics; Thermodynamic data; pyrolysis; Ea; var. temp. and initial pressure;

: 115-11-7
isobutene

A: 513-37-1
2-methylprop-1-enyl chloride

B: 1871-57-4
2-chloromethyl-3-chloroprop-1-ene

C: 594-37-6
1,2-dichloro-2-methylpropane

D: 35329-41-0
(E)-1,3-Dichloro-2-methyl-1-propene

E: 35329-40-9
(Z)-1,3-Dichloro-2-methyl-1-propene

F: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With chlorine at 40 - 70℃; Product distribution; various conc.; further products;

...Expand

: 507-40-4
tert-butylhypochlorite

: 122-52-1
triethyl phosphite

A: 78-40-0
triethyl phosphate

B: 507-20-0
tertiary butyl chloride

C: 637-92-3
Ethyl tert-butyl ether

D: 814-49-3
diethyl chlorophosphate

E: 563-47-3
3-Chloro-2-methylpropene

F: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In dichloromethane at 20℃; Rate constant;

...Expand

: 513-42-8
3-hydroxy-2-methyl-1-propene

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With 1,1,1,3,3,3-hexachloro-propan-2-one; triphenylphosphine In sulfolane from 10 deg C to room temp.;	95.7%
With pyridine; bis(trichloromethyl) carbonate In tetrahydrofuran Ambient temperature;	65%
With 1,1,1,3,3,3-hexachloro-propan-2-one; triphenylphosphine In sulfolane from 10 deg C to room temp., effect of reagents ratio and solvent volume discussed;

: 32670-93-2
2-methallyl diphenylphosphate

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With lithium chloride In N,N-dimethyl-formamide for 0.166667h; Ambient temperature;	64%

: Pd(CH2CHCH2)(C6H3Cl2)(As(C6H5)3)

: 107-05-1
3-chloroprop-1-ene

A: 90220-53-4
CH2CHCH2C6H3Cl2

B: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
In dichloromethane O°C, AsPh3 was added, 24 h.;	A 55% B 20%
In dichloromethane O°C, AsPh3 was added, 1.33 h.;	A 22% B 2%
In dichloromethane O°C, AsPh3 was added, 0.67 h.;	A 10% B 0%
In dichloromethane O°C, AsPh3 was added, 0.33 h.;	A 6% B 0%

...Expand

: 78538-54-2
boric acid trimethallyl ester

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With boron trichloride at 120℃;

: 628-56-8
isopropenylmethyl ether

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With hydrogenchloride; copper(l) chloride at 30 - 50℃; under 89731.9 Torr;

: 36942-09-3
N,N-dichlorourea

: 64-19-7
acetic acid

: 115-11-7
isobutene

A: 57576-87-1
acetic acid-(chloro-tert-butyl ester)

B: 563-47-3
3-Chloro-2-methylpropene

...Expand

: 36942-09-3
N,N-dichlorourea

: 115-11-7
isobutene

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With acetic acid
With trichloroacetic acid
With chloroacetic acid

: 473-29-0
N,N-Dichlorobenzenesulfonamide

: 60-29-7
diethyl ether

: 115-11-7
isobutene

: 107-07-3
2-chloro-ethanol

A: 55982-53-1
1-chloro-2-(2-chloroethoxy)-2-methylpropane

B: 563-47-3
3-Chloro-2-methylpropene

...Expand

: 115-11-7
isobutene

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
Chlorierung;
With chlorine at 0 - 70℃;
With chlorine at 0℃;

: 115-11-7
isobutene

A: 513-37-1
2-methylprop-1-enyl chloride

B: 594-37-6
1,2-dichloro-2-methylpropane

C: 507-20-0
tertiary butyl chloride

D: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
at 80℃; Chlorierung;
With chlorine In tetrachloromethane at 20℃;	A n/a B 6 % Chromat. C n/a D 77 % Chromat.

...Expand

: 115-11-7
isobutene

A: 513-37-1
2-methylprop-1-enyl chloride

B: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
bei der Chlorierung;

: 115-11-7
isobutene

A: 594-37-6
1,2-dichloro-2-methylpropane

B: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With nitrogen trichloride In dichloromethane
With chlorine at 70℃; under 760.051 Torr; for 24h; Inert atmosphere;	A 8.73 %Chromat. B 79.47 %Chromat.

: 594-37-6
1,2-dichloro-2-methylpropane

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
at 380.1℃; Kinetics; Thermodynamic data; pyrolysis; Ea; var. temp. and initial pressure;

: 115-11-7
isobutene

A: 513-37-1
2-methylprop-1-enyl chloride

B: 1871-57-4
2-chloromethyl-3-chloroprop-1-ene

C: 594-37-6
1,2-dichloro-2-methylpropane

D: 35329-41-0
(E)-1,3-Dichloro-2-methyl-1-propene

E: 35329-40-9
(Z)-1,3-Dichloro-2-methyl-1-propene

F: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With chlorine at 40 - 70℃; Product distribution; various conc.; further products;

...Expand

: 507-40-4
tert-butylhypochlorite

: 122-52-1
triethyl phosphite

A: 78-40-0
triethyl phosphate

B: 507-20-0
tertiary butyl chloride

C: 637-92-3
Ethyl tert-butyl ether

D: 814-49-3
diethyl chlorophosphate

E: 563-47-3
3-Chloro-2-methylpropene

F: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In dichloromethane at 20℃; Rate constant;

...Expand

: 64-19-7
acetic acid

: 3100-04-7
Methylcyclopropen

A: 820-71-3
methallyl acetate

B: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With hydrogenchloride at 0℃;

...Expand

: 3100-04-7
Methylcyclopropen

A: 820-71-3
methallyl acetate

B: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With hydrogenchloride In acetic acid at 0℃; Product distribution; var. concentration of HCl and reaction times, other substituted cyclopropene;
With hydrogenchloride In acetic acid at 0℃;

: 115-11-7
isobutene

A: 513-37-1
2-methylprop-1-enyl chloride

B: 594-37-6
1,2-dichloro-2-methylpropane

C: 507-20-0
tertiary butyl chloride

D: 1871-58-5
1,2,3-trichloro-2-methylpropane

E: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With Bu3(PhCH2)NCl*2Cl2 In tetrachloromethane at 20℃; Product distribution; other reagents, other concentration;	A n/a B 69 % Chromat. C n/a D 19 % Chromat. E 9 % Chromat.

...Expand

: 115-11-7
isobutene

A: 594-37-6
1,2-dichloro-2-methylpropane

B: 1871-58-5
1,2,3-trichloro-2-methylpropane

C: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With Bu3(PhCH2)NCl*2Cl2 In tetrachloromethane at 20℃;	A 74 % Chromat. B 18 % Chromat. C 8 % Chromat.
With Bu3(PhCH2)NCl*2Cl2 In tetrachloromethane at 20℃;	A 34 % Chromat. B 62 % Chromat. C 3 % Chromat.

...Expand

: 7782-50-5
chlorine

: 115-11-7
isobutene

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
at 0℃; Mechanism;

: 7732-18-5
water

: 13898-47-0
hypochloric acid

: 115-11-7
isobutene

A: 513-37-1
2-methylprop-1-enyl chloride

B: 558-42-9
3-chloro-2-methylpropan-2-ol

C: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
Mechanism;

...Expand

: 115-11-7
isobutene

charcoal: charcoal

A: 513-37-1
2-methylprop-1-enyl chloride

B: 594-37-6
1,2-dichloro-2-methylpropane

C: 507-20-0
tertiary butyl chloride

D: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
at 200 - 450℃; Chlorierung;

...Expand

: 473-29-0
N,N-Dichlorobenzenesulfonamide

: 67-66-3
chloroform

: 115-11-7
isobutene

: 108-95-2
phenol

A: (chloro-tert-butyl)-phenyl ether

B: 563-47-3
3-Chloro-2-methylpropene

C 1-chloro-2-benzenesulfonylamino-2-methyl-propane: 1-chloro-2-benzenesulfonylamino-2-methyl-propane

...Expand

: 7732-18-5
water

: 7782-50-5
chlorine

: 115-11-7
isobutene

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 78-84-2
isobutyraldehyde

C: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
at 100℃;

...Expand

: 36942-09-3
N,N-dichlorourea

: 64-19-7
acetic acid

: 115-11-7
isobutene

A: 563-47-3
3-Chloro-2-methylpropene

B tert-butyl>-acetate: tert-butyl>-acetate

...Expand

: 64-18-6
formic acid

: 36942-09-3
N,N-dichlorourea

: 115-11-7
isobutene

A: 563-47-3
3-Chloro-2-methylpropene

B tert-butyl>-formate: tert-butyl>-formate

...Expand

isobutylenechloro hydride: isobutylenechloro hydride

A: 563-47-3
3-Chloro-2-methylpropene

B (CH3)2C:CHCl: (CH3)2C:CHCl

Conditions

Conditions	Yield
With oxalic acid Beim Destillieren;
With phosphorus pentoxide Beim Destillieren;

: 513-42-8
3-hydroxy-2-methyl-1-propene

A: 563-47-3
3-Chloro-2-methylpropene

B Ti(OCH2C(CH3)=CH2)4: Ti(OCH2C(CH3)=CH2)4

Conditions

Conditions	Yield
With titanium tetrachloride

: 513-37-1
2-methylprop-1-enyl chloride

: 7664-93-9
sulfuric acid

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 563-47-3
3-Chloro-2-methylpropene

...Expand

: 141-97-9
ethyl acetoacetate

: 563-47-3
3-Chloro-2-methylpropene

: 20962-70-3
ethyl 2-acetyl-4-methylpent-4-enoate

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 40 - 75℃; for 6h;	100%
With tetrabutylammomium bromide; potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 40 - 75℃; for 6h;	100%
With tetrabutylammomium bromide; potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 40 - 75℃; for 6h;	100%

Conditions

Conditions	Yield
With copper(l) iodide; TEA at 60℃;	100%
With copper(l) iodide; N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate; potassium iodide; sodium sulfite In water; benzene at 75 - 80℃; for 6h;	92%
With potassium carbonate; copper(l) iodide; tetrabutyl-ammonium chloride In N,N-dimethyl-formamide for 16h; Product distribution; Ambient temperature; variation of catalysts and reaction time;	88%

: 106-41-2
4-bromo-phenol

: 563-47-3
3-Chloro-2-methylpropene

: 5820-27-9
1-(2’-methylallyloxy)-4-bromobenzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 18h; Inert atmosphere;	100%
With potassium carbonate In acetone Inert atmosphere; Reflux;	87%
With potassium carbonate; acetone
With potassium carbonate In acetone
With potassium carbonate In N,N-dimethyl-formamide at 70℃;

: 563-47-3
3-Chloro-2-methylpropene

: 18147-56-3
trichloro(2-methyl-2-propenyl)silane

Conditions

Conditions	Yield
With tetrachlorosilane; 1,1,2-trichloro-1,2,2-trimethyldisilane; 1,1,2,2-tetrachloro-1,2-dimethyldisilane; N,N,N,N,N,N-hexamethylphosphoric triamide; nickelocene for 15h; Heating;	100%
With N,N,N,N,N,N-hexamethylphosphoric triamide; tetrachlorosilane; nickelocene for 15h; Heating;	100%
With tetrachlorosilane; triethylamine; copper(l) chloride	78%

: 75-89-8
2,2,2-trifluoroethanol

: 563-47-3
3-Chloro-2-methylpropene

: 74407-77-5
2-methyl-3-(2',2',2'-trifluoroethoxy)-prop-1-ene

Conditions

Conditions	Yield
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; tetra-(n-butyl)ammonium iodide	100%
Stage #1: 2,2,2-trifluoroethanol With potassium hydroxide at 40℃; Stage #2: 3-Chloro-2-methylpropene In water at 40℃;	78%
With potassium carbonate In N,N-dimethyl-formamide

: 286376-23-6
4-methyl-N-(prop-1-yn-1-yl)benzenesulfonamide

: 563-47-3
3-Chloro-2-methylpropene

: 292607-11-5
N-(but-2-ynyl)-4-methyl-N-(2-methylallyl)benzenesulfonamide

Conditions

Conditions	Yield
Stage #1: 4-methyl-N-(prop-1-yn-1-yl)benzenesulfonamide With sodium hydride In tetrahydrofuran; N,N-dimethyl-formamide at 0℃; for 1h; Stage #2: 3-Chloro-2-methylpropene With sodium iodide In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 9h; Further stages.;	100%

: 27845-47-2
N-benzylidene ethylamine

: 563-47-3
3-Chloro-2-methylpropene

Conditions

Conditions	Yield
With zinc In tetrahydrofuran at 20℃; for 4h;	100%

: 73396-92-6
2-iodo-N,N-diallylaniline

: 563-47-3
3-Chloro-2-methylpropene

: 882788-93-4
N,N-diallyl-2-(2-methylprop-2-en-1-yl)aniline

Conditions

Conditions	Yield
Stage #1: 2-iodo-N,N-diallylaniline With TurboGrignard In tetrahydrofuran at -10℃; for 0.5h; Stage #2: 3-Chloro-2-methylpropene In tetrahydrofuran at -10 - 20℃; for 12h;	100%
Stage #1: 2-iodo-N,N-diallylaniline With TurboGrignard In tetrahydrofuran at -10℃; for 1h; Stage #2: 3-Chloro-2-methylpropene With copper(I) cyanide lithium chloride In tetrahydrofuran at -10 - 20℃; for 25h;
Stage #1: 2-iodo-N,N-diallylaniline With TurboGrignard In tetrahydrofuran at -10℃; for 0.5h; Inert atmosphere; Stage #2: 3-Chloro-2-methylpropene With copper(I) cyanide di(lithium chloride) In tetrahydrofuran at -10 - 20℃;	568 mg
Stage #1: 2-iodo-N,N-diallylaniline With isopropylmagnesium chloride In tetrahydrofuran at -10℃; Stage #2: 3-Chloro-2-methylpropene With copper(l) cyanide; lithium chloride at -10 - 20℃;

: 563-47-3
3-Chloro-2-methylpropene

: 104131-54-6
2-methyl-2-propenyl azide

Conditions

Conditions	Yield
With sodium azide In dimethyl sulfoxide at 20℃; for 2.5h;	100%
With sodium azide In dimethyl sulfoxide at 70℃; for 15h;
With sodium azide In dimethyl sulfoxide at 70℃; for 15h;

: 32556-70-0
(R)-1-octyn-3-ol

: 563-47-3
3-Chloro-2-methylpropene

: 913977-05-6
C12H20O

Conditions

Conditions	Yield
With copper(l) iodide; tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 20℃; for 24h;	100%

: 107033-46-5
(R)-(tert-butyldiphenylsilyloxy)methyloxirane

: 563-47-3
3-Chloro-2-methylpropene

: 945468-53-1
C23H32O2Si

Conditions

Conditions	Yield
Stage #1: 3-Chloro-2-methylpropene With magnesium In tetrahydrofuran at 24℃; for 1h; Stage #2: (R)-(tert-butyldiphenylsilyloxy)methyloxirane In tetrahydrofuran at -40℃; for 5h; Further stages.;	100%

: tert-butyl N-(7-(tert-butyl)-2,3-dihydro-2,2,4-trimethyl-1-benzofuran-5-yl]carbamate

: 563-47-3
3-Chloro-2-methylpropene

: 7-(tert-Butyl)-2,3-dihydro-5-(2-methyl-2-propenyl)amino-2,2,4-trimethyl-1-benzofurane

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; potassium iodide In methanol; N,N-dimethyl-formamide	100%
With sodium hydroxide; concentrated hydrochloric acid; potassium iodide In methanol; sodium hydride; N,N-dimethyl-formamide

: 118-58-1
benzyl salicylate

: 563-47-3
3-Chloro-2-methylpropene

: benzyl 2-(2-methylallyl-oxy)benzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide	100%

: 321-14-2
5-chloro-2-hydroxybenzoic acid

: 563-47-3
3-Chloro-2-methylpropene

: 2-methylallyl 5-chloro-2-(2-methylallyloxy)benzoate

Conditions

Conditions	Yield
Stage #1: 5-chloro-2-hydroxybenzoic acid With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 65℃; for 0.0833333h; Inert atmosphere; Stage #2: 3-Chloro-2-methylpropene In N,N-dimethyl-formamide at 65℃; for 21h;	100%
With potassium carbonate In N-methyl-acetamide

: 30030-83-2
1-<4-(1H-indol-3-yl)piperidino>ethanone

: 563-47-3
3-Chloro-2-methylpropene

: 648882-71-7
1-{4-[1-(2-methylallyl)-1H-indol-3-yl]-piperidin-1-yl}-ethanone

Conditions

Conditions	Yield
Stage #1: 1-<4-(1H-indol-3-yl)piperidino>ethanone With sodium hydride In DMF (N,N-dimethyl-formamide) at 20℃; for 0.333333h; Stage #2: 3-Chloro-2-methylpropene In DMF (N,N-dimethyl-formamide) at 20℃;	100%

: 121-71-1
3-Hydroxyacetophenone

: 563-47-3
3-Chloro-2-methylpropene

: 1017048-68-8
1-[3-(2-methylallyloxy)phenyl]ethanone

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide; potassium carbonate In N,N-dimethyl-formamide at 20 - 80℃;	100%
With potassium carbonate In acetonitrile for 17h; Reflux;

3-Chloro-2-methylpropene Chemical Properties

The molecular structure of 3-Chloro-2-methylpropene (CAS NO.563-47-3):

IUPAC Name: 3-Chloro-2-methylprop-1-ene
Molecular Weight: 90.55138 g/mol
Molecular Formula: C₄H₇Cl
Density: 0.897 g/cm³
Melting Point: -80 °C
Boiling Point: 72.5 °C at 760 mmHg
Flash Point: 9 °F
Index of Refraction: 1.41
Molar Refractivity: 24.99 cm³
Molar Volume: 100.8 cm³
Surface Tension: 20.6 dyne/cm
Enthalpy of Vaporization: 30.08 kJ/mol
Vapour Pressure: 130 mmHg at 25 °C
Storage Temp.: refrigerator (+4 °C) + flammables area
Water Solubility: 0.5 g/L (20 °C)
XLogP3-AA: 2.1
Rotatable Bond Count: 1
Exact Mass: 90.023628
MonoIsotopic Mass: 90.023628
Canonical SMILES: CC(=C)CCl
InChI: InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3
InChIKey: OHXAOPZTJOUYKM-UHFFFAOYSA-N
EINECS: 209-251-2
Product Categories: Industrial/Fine Chemicals

3-Chloro-2-methylpropene Uses

3-Chloro-2-methylpropene (CAS NO.563-47-3) is used to make plastics and pharmaceuticals. It is important organic intermediates. It also can be widely used in medicine, pesticides, perfume, synthetic materials.

3-Chloro-2-methylpropene Toxicity Data With Reference

1.	mmo-sat 6 µmol/plate	BCPCA6 Biochemical Pharmacology. 29 (1980),2611.
2.	dns-hmn:hla 1 mmol/L	CALEDQ Cancer Letters (Shannon, Ireland). 20 (1983),263.
3.	orl-rat TDLo:77,250 mg/kg/2Y-I:CAR	NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-300 ,1986.
4.	orl-mus TDLo:51,500 mg/kg/2Y-I:CAR	NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-300 ,1986.
5.	orl-rat TD:77,250 mg/kg/2Y-I:NEO,REP	NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-300 ,1986.

3-Chloro-2-methylpropene Consensus Reports

NTP 10th Report on Carcinogens. NTP Carcinogenesis Studies (gavage); Clear Evidence: mouse, rat NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-300 ,1986. . Reported in EPA TSCA Inventory.

3-Chloro-2-methylpropene Safety Profile

Hazard Codes: F, Corrosive C, Dangerous N
Risk Statements: 11-20/22-34-43-51/53
R11:Highly flammable.
R20/22:Harmful by inhalation and if swallowed.
R34:Causes burns.
R43:May cause sensitization by skin contact.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 9-16-29-36/37/39-45-61-26
S9:Keep container in a well-ventilated place.
S16:Keep away from sources of ignition.
S29:Do not empty into drains.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 2554 3/PG 2
WGK Germany: 2
RTECS: UC8050000
HazardClass: 3
PackingGroup: II
HS Code: 29032900
Confirmed carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Experimental reproductive effects. An irritant. Human mutation data reported. Very dangerous fire hazard when exposed to heat, flame, or oxidizers. Moderately explosive when exposed to heat or flame. Can react vigorously with oxidizing materials. To fight fire, use alcohol foam, CO₂, dry chemical. When heated to decomposition it emits toxic fumes of Cl⁻. See also CHLORINATED HYDROCARBONS, ALIPHATIC; and ALLYL COMPOUNDS.

3-Chloro-2-methylpropene Standards and Recommendations

DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
DOT Classification: 3; Label: Flammable Liquid

3-Chloro-2-methylpropene Specification

3-Chloro-2-methylpropene (CAS NO.563-47-3) is also named as 1-Chloro-2-methyl-2-propene ; 2-Methallyl chloride ; 2-Methyl-2-propenyl chloride ; 2-Methyl-allylchlorid ; 2-Methyl-allylchlorid [German] ; 3-Chlor-2-methyl-prop-1-en ; 3-Chlor-2-methyl-prop-1-en [German] ; 3-Chloro-2-methyl-1-propene ; 3-Chloroisobutylene ; 3-Cloro-2-metil-prop-1-ene ; 3-Cloro-2-metil-prop-1-ene [Italian] ; 4-01-00-00803 (Beilstein Handbook Reference) ; AI3-14901 ; BRN 0878160 ; CCRIS 869 ; Chlorue de methallyle ; Chlorue de methallyle [French] ; Chlorure de methallyle ; Chlorure de methallyle [French] ; Cloruro di metallile ; Cloruro di metallile [Italian] ; HSDB 1149 ; Isobutenyl chloride ; MAC ; Methallyl chloride ; NCI-C54820 ; NSC 7303 ; Propene, 3-chloro-2-methyl- ; beta-Methylallyl chloride ; gamma-Chloroisobutylene . 3-Chloro-2-methylpropene (CAS NO.563-47-3) is clear liquid with a sharp penetrating odor. It is insoluble in water. It may be toxic by ingestion. Irritating to skin and eyes. It is highly flammable. 3-Chloro-2-methylpropene may react with water at elevated temperatures. It is sensitive to light. 3-Chloro-2-methylpropene can react vigorously with oxidizers. It is incompatible with strong bases.Inhalation causes irritation of nose and throat. Contact of vapor or liquid with eyes causes irritation. Liquid irritates skin. Ingestion causes irritation of mouth and stomach.

Product Name

3-Chloro-2-methylpropene

Synthetic route

3-Chloro-2-methylpropene Chemical Properties

3-Chloro-2-methylpropene Uses

3-Chloro-2-methylpropene Toxicity Data With Reference

3-Chloro-2-methylpropene Consensus Reports

3-Chloro-2-methylpropene Safety Profile

3-Chloro-2-methylpropene Standards and Recommendations

3-Chloro-2-methylpropene Specification

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