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116-16-5 Usage

Chemical Properties

clear colorless to yellowish liquid

Uses

Different sources of media describe the Uses of 116-16-5 differently. You can refer to the following data:
1. Reagent used for the polymerization of vinyl compounds and for the conversion of nucleoside-3′-phosphonates to the corresponding phosphates
2. Hexachloro-2-propanone (hexachloroacetone) was used in the synthesis of chirally deuterated benzyl chlorides and enol phosphate 2,2-dichloro-1-(trichloromethyl)ethenyl diethyl phosphate. It was also used in obtaining efficient amino acid activation by exploiting the rapid formation of acid chlorides under low temperature and acid/base free conditions.

General Description

A yellow-colored liquid. Slightly soluble in water and denser than water. Vapors are much heavier than air. Irritates skin and eyes. May be toxic by ingestion or inhalation. Used to make other chemicals.

Air & Water Reactions

Slightly soluble in water.

Reactivity Profile

Hexachloroacetone is a halogenated ketone. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

Hazard

Toxic by ingestion and inhalation, strong irritant. Combustible. Evolves phosgene when heated.

Health Hazard

TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

Fire Hazard

Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.

Check Digit Verification of cas no

The CAS Registry Mumber 116-16-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,1 and 6 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 116-16:
(5*1)+(4*1)+(3*6)+(2*1)+(1*6)=35
35 % 10 = 5
So 116-16-5 is a valid CAS Registry Number.

116-16-5 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (B23259)  Hexachloroacetone, 99%   

  • 116-16-5

  • 100g

  • 242.0CNY

  • Detail
  • Alfa Aesar

  • (B23259)  Hexachloroacetone, 99%   

  • 116-16-5

  • 250g

  • 328.0CNY

  • Detail
  • Alfa Aesar

  • (B23259)  Hexachloroacetone, 99%   

  • 116-16-5

  • 1000g

  • 1056.0CNY

  • Detail
  • Aldrich

  • (10894)  Hexachloro-2-propanone  produced by Wacker Chemie AG, Burghausen, Germany, ≥99.0% (GC)

  • 116-16-5

  • 10894-1KG

  • 890.37CNY

  • Detail
  • Aldrich

  • (10894)  Hexachloro-2-propanone  produced by Wacker Chemie AG, Burghausen, Germany, ≥99.0% (GC)

  • 116-16-5

  • 10894-25KG

  • 8,979.75CNY

  • Detail

116-16-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name hexachloroacetone

1.2 Other means of identification

Product number -
Other names Perchloroacetone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. CBI,Intermediates
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:116-16-5 SDS

116-16-5Synthetic route

2,2-bis(trichloromethyl)-5-(p-methoxyphenyl)-1,3,4-oxathiazole
73501-03-8

2,2-bis(trichloromethyl)-5-(p-methoxyphenyl)-1,3,4-oxathiazole

dimethyl acetylenedicarboxylate
762-42-5

dimethyl acetylenedicarboxylate

A

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

B

4-methoxybenzonitrile
874-90-8

4-methoxybenzonitrile

C

dimethyl 3-(p-methoxyphenyl)isothiazole-4,5-dicarboxylate
59291-73-5

dimethyl 3-(p-methoxyphenyl)isothiazole-4,5-dicarboxylate

D

S

S

Conditions
ConditionsYield
In 1,3,5-trimethyl-benzene at 161℃; for 0.8h;A 99%
B 8%
C 88%
D n/a
acetone
67-64-1

acetone

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

Conditions
ConditionsYield
With chlorine; pyrographite at 150 - 160℃; for 7h; Temperature; Flow reactor; Industrial scale;98.4%
pentachloro-2-(trimethylsiloxy)propene
87651-34-1

pentachloro-2-(trimethylsiloxy)propene

A

chloro-trimethyl-silane
75-77-4

chloro-trimethyl-silane

B

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

Conditions
ConditionsYield
With chlorine at 160℃;A 75%
B 51.8%
2,2-bis(trichloromethyl)-5-(p-methoxyphenyl)-1,3,4-oxathiazole
73501-03-8

2,2-bis(trichloromethyl)-5-(p-methoxyphenyl)-1,3,4-oxathiazole

propynoic acid ethyl ester
623-47-2

propynoic acid ethyl ester

A

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

B

ethyl 3-(p-methoxyphenyl)isothiazole-4-carboxylate
76162-57-7

ethyl 3-(p-methoxyphenyl)isothiazole-4-carboxylate

C

ethyl 3-(p-methoxyphenyl)isothiazole-5-carboxylate
76162-58-8

ethyl 3-(p-methoxyphenyl)isothiazole-5-carboxylate

D

4-methoxybenzonitrile
874-90-8

4-methoxybenzonitrile

E

S

S

Conditions
ConditionsYield
In 1,3,5-trimethyl-benzene at 161℃; for 1h;A n/a
B 47%
C 35%
D 16%
E n/a
acetone
67-64-1

acetone

A

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

B

pentachloroacetone
1768-31-6

pentachloroacetone

Conditions
ConditionsYield
With N-benzyl-N,N,N-triethylammonium chloride; chlorine at 40 - 70℃;A 8%
B 43%
With chlorine an der Sonne;
With acetic acid beim Chlorieren anfangs in Gegenwart von wenig HCl bei Raumtemperatur, spaeter in Gegenwart von Natriumacetat bei Siedetemperatur;
chloroacetone
78-95-5

chloroacetone

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

Conditions
ConditionsYield
With chlorine at 50 - 100℃;
glycerol
56-81-5

glycerol

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

Conditions
ConditionsYield
With iodine; chlorine
citric acid
77-92-9

citric acid

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

Conditions
ConditionsYield
With water; chlorine im Sonnenlicht;
2,2-bis(trichloromethyl)-5-(p-methoxyphenyl)-1,3,4-oxathiazole
73501-03-8

2,2-bis(trichloromethyl)-5-(p-methoxyphenyl)-1,3,4-oxathiazole

A

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

B

4-methoxybenzonitrile
874-90-8

4-methoxybenzonitrile

Conditions
ConditionsYield
In 1,3,5-trimethyl-benzene for 1h; Heating; other oxathiazoles also thermolised, also in the presence of dipolarophiles;A 99 % Chromat.
B 98 % Chromat.
chlorine
7782-50-5

chlorine

chloroacetone
78-95-5

chloroacetone

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

Conditions
ConditionsYield
at 50 - 100℃;
water
7732-18-5

water

chlorine
7782-50-5

chlorine

citric acid
77-92-9

citric acid

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

Conditions
ConditionsYield
im Sonnenlicht;
hydrogenchloride
7647-01-0

hydrogenchloride

chlorine
7782-50-5

chlorine

acetic acid
64-19-7

acetic acid

acetone
67-64-1

acetone

A

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

B

pentachloroacetone
1768-31-6

pentachloroacetone

Conditions
ConditionsYield
at 20℃; Zusatz von Natriumacetat bei Siedetemperatur;
chlorine
7782-50-5

chlorine

acetic acid
64-19-7

acetic acid

chloroacetone
78-95-5

chloroacetone

A

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

B

pentachloroacetone
1768-31-6

pentachloroacetone

C

decachloro-hexane-2,5-dione
855912-10-6

decachloro-hexane-2,5-dione

Conditions
ConditionsYield
at 160℃; unter Belichtung;
iodine
7553-56-2

iodine

chlorine
7782-50-5

chlorine

glycerol
56-81-5

glycerol

A

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

B

trichlorolactic acid

trichlorolactic acid

C

glycerol chlorohydrin

glycerol chlorohydrin

D

glycerol dichlorohydrin

glycerol dichlorohydrin

Conditions
ConditionsYield
Produkt5:Oxalsaeure;
1,1-Dichloroacetone
513-88-2

1,1-Dichloroacetone

A

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

B

1,1,1-trichloroacetone
918-00-3

1,1,1-trichloroacetone

C

pentachloroacetone
1768-31-6

pentachloroacetone

Conditions
ConditionsYield
With pyridine; chlorine at 70 - 80℃; for 4h;
1,1,3-trichloroacetone
921-03-9

1,1,3-trichloroacetone

A

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

B

pentachloroacetone
1768-31-6

pentachloroacetone

Conditions
ConditionsYield
With pyridine; chlorine at 70 - 80℃;
1,1,1-trichloroacetone
918-00-3

1,1,1-trichloroacetone

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

Conditions
ConditionsYield
With pyridine; chlorine at 120 - 125℃;
chloroacetone
78-95-5

chloroacetone

A

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

B

1,1,1-trichloroacetone
918-00-3

1,1,1-trichloroacetone

C

pentachloroacetone
1768-31-6

pentachloroacetone

Conditions
ConditionsYield
With pyridine; chlorine at 70 - 80℃; for 7.75h;
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

1,1,1,3,3,3-hexachloro-propan-2-ol
6188-63-2

1,1,1,3,3,3-hexachloro-propan-2-ol

Conditions
ConditionsYield
With N,N'-hexamethylenebis(1-benzyl-3-carbamoyl-1,4-dihydropyridine) In dichloromethane at 25℃; Rate constant; other reagents, solvents;100%
With N,N'-hexamethylenebis(1-benzyl-3-carbamoyl-1,4-dihydropyridine) In dichloromethane at 25℃; Kinetics; var. of reagent, solvent;100%
With 1,2-dimethyl-1,4-dihydropyridine; zinc(II) iodide In cyclohexane at 20℃; for 24h;100%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

Triphenylmethylamin
5824-40-8

Triphenylmethylamin

trityl isocyanate
4737-21-7

trityl isocyanate

Conditions
ConditionsYield
With triethylamine In dichloromethane for 2h; Ambient temperature;100%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

isopropylamine
75-31-0

isopropylamine

A

chloroform
67-66-3

chloroform

B

N-Isopropyl-2,2,2-trichloroacetamide
23144-67-4

N-Isopropyl-2,2,2-trichloroacetamide

Conditions
ConditionsYield
In hexaneA n/a
B 100%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

N-butylamine
109-73-9

N-butylamine

A

chloroform
67-66-3

chloroform

B

trichloro-acetic acid butylamide
31464-96-7

trichloro-acetic acid butylamide

Conditions
ConditionsYield
In hexaneA n/a
B 100%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

(1R,9R,12S)-12-Hydroxymethyl-1,5-dimethyl-8-oxa-tricyclo[7.2.1.02,7]dodeca-2(7),4-dien-12-ol

(1R,9R,12S)-12-Hydroxymethyl-1,5-dimethyl-8-oxa-tricyclo[7.2.1.02,7]dodeca-2(7),4-dien-12-ol

C15H18O4

C15H18O4

Conditions
ConditionsYield
With triethylamine In dichloromethane for 1h; Ambient temperature;100%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

2-amino-5-iodobenzoic acid
5326-47-6

2-amino-5-iodobenzoic acid

5-iodoisatoic anhydride
116027-10-2

5-iodoisatoic anhydride

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane; water at 20℃; for 0.166667h;100%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

tributyltin methoxide
1067-52-3

tributyltin methoxide

tributyl-trichloromethyl-stannane
5764-62-5

tributyl-trichloromethyl-stannane

Conditions
ConditionsYield
byproducts: CCl3COOCH3; 1:1.1; 33°C / 7 d and 55°C / 4 h;100%
byproducts: Cl3CCOOCH3; 55°C, 4 h;;
byproducts: Cl3CCOOCH3; 55°C, 4 h;;
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

tributyltin methoxide
1067-52-3

tributyltin methoxide

1.1.1.3.3.3-Hexachlor-2-methoxy-2--propan
14630-19-4

1.1.1.3.3.3-Hexachlor-2-methoxy-2--propan

Conditions
ConditionsYield
In tetrachloromethane 1:1;100%
In neat (no solvent) addn. of tributyltin alkoxide to ketone (1:1 mole ratio) at 33°C; proved by NMR;100%
In neat (no solvent) addn. of tributyltin alkoxide to ketone (1:1 mole ratio) at 33°C; proved by NMR;100%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

N-Trimethylstannyldiphenylmethylenamin
34982-42-8

N-Trimethylstannyldiphenylmethylenamin

(C4H9)3SnOC(CCl3)2NC(C6H5)2
34982-57-5

(C4H9)3SnOC(CCl3)2NC(C6H5)2

Conditions
ConditionsYield
100%
100%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

N-ethyl-N-(3-nitropyridine-2-yl)-1H-pyrrol-1-amine
332379-50-7

N-ethyl-N-(3-nitropyridine-2-yl)-1H-pyrrol-1-amine

N,N'-bis[[N-ethyl-N-(pyrrol-1-yl)]-2-amino-pyridin-3-yl]urea[1,2-b][1,2,5]benzotriazepin-11-one
332379-61-0

N,N'-bis[[N-ethyl-N-(pyrrol-1-yl)]-2-amino-pyridin-3-yl]urea[1,2-b][1,2,5]benzotriazepin-11-one

Conditions
ConditionsYield
In dichloromethane at 20℃; for 4h;99%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

2,2,3,3-tetrafluoropropanol
76-37-9

2,2,3,3-tetrafluoropropanol

A

chloroform
67-66-3

chloroform

B

bis(2,2,3,3-tetrafluoropropyl) carbonate
1422-70-4

bis(2,2,3,3-tetrafluoropropyl) carbonate

Conditions
ConditionsYield
With potassium fluoride; zirconium(IV) oxide at 140℃; for 10h; Product distribution / selectivity; pressure tight reactor;A 99%
B 99%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

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

2,2,2-trifluoroethanol

A

chloroform
67-66-3

chloroform

B

bis(2,2,2-trifluoroethyl) carbonate
1513-87-7

bis(2,2,2-trifluoroethyl) carbonate

Conditions
ConditionsYield
With potassium fluoride; zirconium(IV) oxide at 140℃; for 10h; pressure tight reactor;A 99%
B 99%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

N-benzyl-2-(phenylethynyl)-4-(trifluoromethyl)aniline

N-benzyl-2-(phenylethynyl)-4-(trifluoromethyl)aniline

benzyl[2-(phenylethynyl)-4-(trifluoromethyl)phenyl]carbamic chloride

benzyl[2-(phenylethynyl)-4-(trifluoromethyl)phenyl]carbamic chloride

Conditions
ConditionsYield
Stage #1: 1,1,1,3,3,3-hexachloro-propan-2-one With pyridine In dichloromethane at -78℃; Inert atmosphere;
Stage #2: N-benzyl-2-(phenylethynyl)-4-(trifluoromethyl)aniline In dichloromethane at -78 - 20℃; Inert atmosphere;
99%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

trimethylsilyl cyanide
7677-24-9

trimethylsilyl cyanide

3,3,3-Trichloro-2-trichloromethyl-2-trimethylsilanyloxy-propionitrile

3,3,3-Trichloro-2-trichloromethyl-2-trimethylsilanyloxy-propionitrile

Conditions
ConditionsYield
aluminium trichloride at 40 - 50℃; for 1h;98%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

N-benzyl-5-methyl-2-(phenylethynyl)aniline
1380395-17-4

N-benzyl-5-methyl-2-(phenylethynyl)aniline

benzyl[5-methyl-2-(phenylethynyl)phenyl]carbamic chloride

benzyl[5-methyl-2-(phenylethynyl)phenyl]carbamic chloride

Conditions
ConditionsYield
Stage #1: 1,1,1,3,3,3-hexachloro-propan-2-one With pyridine In dichloromethane at -78℃; Inert atmosphere;
Stage #2: N-benzyl-5-methyl-2-(phenylethynyl)aniline In dichloromethane at -78 - 20℃; Inert atmosphere;
98%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

1-amino-2-propene
107-11-9

1-amino-2-propene

A

chloroform
67-66-3

chloroform

B

2,2,2-trichloro-N-(2-propenyl)acetamide
39089-56-0

2,2,2-trichloro-N-(2-propenyl)acetamide

Conditions
ConditionsYield
In hexane for 0.5h;A n/a
B 97%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

(1R,2'R,1''R)-(4-methoxyphenyl){1-[1'-(1''-phenylethyl)aziridin-2'-yl]-1-[pentyl]methyl}amine
694526-76-6

(1R,2'R,1''R)-(4-methoxyphenyl){1-[1'-(1''-phenylethyl)aziridin-2'-yl]-1-[pentyl]methyl}amine

(4S,5R,1'R)-4-chloromethyl-1-(4-methoxyphenyl)-5-phenyl-3-(1'-phenylethyl)imidazolidin-2-one

(4S,5R,1'R)-4-chloromethyl-1-(4-methoxyphenyl)-5-phenyl-3-(1'-phenylethyl)imidazolidin-2-one

Conditions
ConditionsYield
Stage #1: (1R,2'R,1''R)-(4-methoxyphenyl){1-[1'-(1''-phenylethyl)aziridin-2'-yl]-1-[pentyl]methyl}amine With sodium hydride In tetrahydrofuran at -10℃; for 1h;
Stage #2: 1,1,1,3,3,3-hexachloro-propan-2-one In tetrahydrofuran at -78℃; for 2h;
97%
Stage #1: (1R,2'R,1''R)-(4-methoxyphenyl){1-[1'-(1''-phenylethyl)aziridin-2'-yl]-1-[pentyl]methyl}amine With sodium hydride In tetrahydrofuran at -10℃; for 1h;
Stage #2: 1,1,1,3,3,3-hexachloro-propan-2-one In tetrahydrofuran at -10℃; for 2h;
97%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

2,2,3,3-tetrafluoropropanol
76-37-9

2,2,3,3-tetrafluoropropanol

bis(2,2,3,3-tetrafluoropropyl) carbonate
1422-70-4

bis(2,2,3,3-tetrafluoropropyl) carbonate

Conditions
ConditionsYield
Stage #1: 2,2,3,3-tetrafluoropropanol With Tetraethylene glycol dimethyl ether; potassium carbonate at 10 - 30℃;
Stage #2: 1,1,1,3,3,3-hexachloro-propan-2-one at 30 - 70℃; Reagent/catalyst;
97%
With potassium fluoride at 100℃; for 10h;100 g
methanol
67-56-1

methanol

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

Conditions
ConditionsYield
Stage #1: methanol With Tetraethylene glycol dimethyl ether; potassium carbonate at 10 - 30℃;
Stage #2: 1,1,1,3,3,3-hexachloro-propan-2-one at 30 - 75℃; Reagent/catalyst;
97%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

methyl 3-(benzylamino)-4-(phenylethynyl)benzoate

methyl 3-(benzylamino)-4-(phenylethynyl)benzoate

methyl 3-[benzyl(chlorocarbonyl)amino]-4-(phenylethynyl)benzoate

methyl 3-[benzyl(chlorocarbonyl)amino]-4-(phenylethynyl)benzoate

Conditions
ConditionsYield
Stage #1: 1,1,1,3,3,3-hexachloro-propan-2-one With pyridine In dichloromethane at -78℃; Inert atmosphere;
Stage #2: methyl 3-(benzylamino)-4-(phenylethynyl)benzoate In dichloromethane at -78 - 20℃; Inert atmosphere;
97%
potassium cyanide

potassium cyanide

sodium cyanide
773837-37-9

sodium cyanide

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

16-methylene-4-androstene-3,17-dione
80108-48-1

16-methylene-4-androstene-3,17-dione

C22H29NO

C22H29NO

Conditions
ConditionsYield
With potassium carbonate; sodium hydroxide In water; acetone at 36℃; for 22h;96.05%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

ethanolamine
141-43-5

ethanolamine

A

chloroform
67-66-3

chloroform

B

2,2,2-trichloro-N-(2-hydroxyethyl)acetamide
35234-31-2

2,2,2-trichloro-N-(2-hydroxyethyl)acetamide

Conditions
ConditionsYield
In hexane for 0.5h;A n/a
B 96%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

(1S,2'R,1''R)-(4-methoxyphenyl){1-[1'-(1''-phenylethyl)aziridin-2'-yl]pentyl}amine
867171-99-1

(1S,2'R,1''R)-(4-methoxyphenyl){1-[1'-(1''-phenylethyl)aziridin-2'-yl]pentyl}amine

(4S,5S,1'R)-5-n-butyl-4-chloromethyl-1-(4-methoxyphenyl)-3-(1'-phenylethyl)imidazolidin-2-one

(4S,5S,1'R)-5-n-butyl-4-chloromethyl-1-(4-methoxyphenyl)-3-(1'-phenylethyl)imidazolidin-2-one

Conditions
ConditionsYield
Stage #1: (1S,2'R,1''R)-(4-methoxyphenyl){1-[1'-(1''-phenylethyl)aziridin-2'-yl]pentyl}amine With sodium hydride In tetrahydrofuran at -10℃; for 1h;
Stage #2: 1,1,1,3,3,3-hexachloro-propan-2-one In tetrahydrofuran at -78℃; for 2h;
96%
Stage #1: (1S,2'R,1''R)-(4-methoxyphenyl){1-[1'-(1''-phenylethyl)aziridin-2'-yl]pentyl}amine With sodium hydride In tetrahydrofuran at -10℃; for 1h;
Stage #2: 1,1,1,3,3,3-hexachloro-propan-2-one In tetrahydrofuran at -10℃; for 2h;
83%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

(1R,2'R,1''R)-(4-methoxyphenyl){1-[1'-(1''-phenylethyl)aziridin-2'-yl]pentyl}amine
694526-75-5

(1R,2'R,1''R)-(4-methoxyphenyl){1-[1'-(1''-phenylethyl)aziridin-2'-yl]pentyl}amine

(4S,5R,1'R)-5-n-butyl-4-chloromethyl-1-(4-methoxyphenyl)-3-(1'-phenylethyl)imidazolidin-2-one

(4S,5R,1'R)-5-n-butyl-4-chloromethyl-1-(4-methoxyphenyl)-3-(1'-phenylethyl)imidazolidin-2-one

Conditions
ConditionsYield
Stage #1: (1R,2'R,1''R)-(4-methoxyphenyl){1-[1'-(1''-phenylethyl)aziridin-2'-yl]pentyl}amine With sodium hydride In tetrahydrofuran at -10℃; for 1h;
Stage #2: 1,1,1,3,3,3-hexachloro-propan-2-one In tetrahydrofuran at -78℃; for 2h;
96%
Stage #1: (1R,2'R,1''R)-(4-methoxyphenyl){1-[1'-(1''-phenylethyl)aziridin-2'-yl]pentyl}amine With sodium hydride In tetrahydrofuran at -10℃; for 1h;
Stage #2: 1,1,1,3,3,3-hexachloro-propan-2-one In tetrahydrofuran at -10℃; for 2h;
96%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

N-benzyl-4-methyl-2-(phenylethynyl)phenylamine
1380395-15-2

N-benzyl-4-methyl-2-(phenylethynyl)phenylamine

benzyl[4-methyl-2-(phenylethynyl)phenyl]carbamic chloride

benzyl[4-methyl-2-(phenylethynyl)phenyl]carbamic chloride

Conditions
ConditionsYield
Stage #1: 1,1,1,3,3,3-hexachloro-propan-2-one With pyridine In dichloromethane at -78℃; Inert atmosphere;
Stage #2: N-benzyl-4-methyl-2-(phenylethynyl)phenylamine In dichloromethane at -78 - 20℃; Inert atmosphere;
96%
1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

N-benzyl-2-((4-(trifluoromethyl)phenyl)ethynyl)aniline
1616706-99-0

N-benzyl-2-((4-(trifluoromethyl)phenyl)ethynyl)aniline

ethyl 4-({2-[benzyl(chlorocarbonyl)amino]phenyl}ethynyl)benzoate

ethyl 4-({2-[benzyl(chlorocarbonyl)amino]phenyl}ethynyl)benzoate

Conditions
ConditionsYield
Stage #1: 1,1,1,3,3,3-hexachloro-propan-2-one With pyridine In dichloromethane at -78℃; Inert atmosphere;
Stage #2: N-benzyl-2-((4-(trifluoromethyl)phenyl)ethynyl)aniline In dichloromethane at -78 - 20℃; Inert atmosphere;
96%
sodium cyanide
773837-37-9

sodium cyanide

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

16-methylene-4-androstene-3,17-dione
80108-48-1

16-methylene-4-androstene-3,17-dione

2-hydroxy-2-methylpropanenitrile
75-86-5

2-hydroxy-2-methylpropanenitrile

C22H29NO

C22H29NO

Conditions
ConditionsYield
With sodium carbonate; sodium hydroxide In ethanol; water at 40℃; for 22h;95.77%
potassium cyanide

potassium cyanide

1,1,1,3,3,3-hexachloro-propan-2-one
116-16-5

1,1,1,3,3,3-hexachloro-propan-2-one

16-methylene-4-androstene-3,17-dione
80108-48-1

16-methylene-4-androstene-3,17-dione

2-hydroxy-2-methylpropanenitrile
75-86-5

2-hydroxy-2-methylpropanenitrile

C22H29NO

C22H29NO

Conditions
ConditionsYield
With potassium carbonate In water; isopropyl alcohol at 32℃; for 22h;95.72%

116-16-5Relevant articles and documents

A critical examination of the preparation of polychlorinated acetones

Foehlisch, Baidur,Zinser, Hartmut

, p. 549 - 572 (2004)

-

Nitrile Sulphides. Part 3. Thermal Fragmentation of 1,3,4-Oxathiazoles: Formation of Nitrile Sulphides in a Retro-1,3-dipolar Cycloaddition Reaction

Paton, R. Michael,Robertson, Fiona M.,Ross, John F.,Crosby, John

, p. 1517 - 1522 (2007/10/02)

On thermolysis at ca. 160 gradC 1,3,4-oxathiazoles undergo retro-1,3-dipolar cycloaddition forming nitrile sulphides and carbonyl-containing fragments.The nitrile sulphides either decompose to sulphur and nitriles or are trapped as their 1,3-dipolar cycloadducts in the presence of dipolarophiles (dimethyl acetylenedicarboxylate, ethyl cyanoformate, benzonitrile, ethyl propiolate).Similar ratios (1.32, l.34, 1.33, 1.31) of 4- and 5-ethoxycarbonyl-3-(p-methoxyphenyl)isothiazole obtained from four sources of p-methoxybenzonitrile sulphide with ethyl propriolate provide strong evidence for product formation from a discrete intermediate nitrile sulphide rather than via direct interaction of precursor with dipolarophile. 2-Dichloromethylene-1,3,4-oxathiazoles, prepared by dehydrochlorination of 2-trichloromethyloxathiazoles, prepared by dehydrochlorination of 2-trichlorometyloxathiazoles, likewise fragment to nitrile sulphides, but attempts to trap dichloroketene were unsuccessful.

Nitrile Sulphide Formation from the Thermal Fragmentation of 1,3,4-Oxathiazoles: a Retro-1,3-dipolar Cycloaddition

Paton, R. Michael,Robertson, Fiona M.,Ross, John F.,Crosby, John

, p. 714 - 715 (2007/10/02)

1,3,4-Oxathiazoles, on thermolysis, undergo retro-1,3-dipolar cycloaddition to afford carbonyl compounds and nitrile sulphides, which may be trapped by cycloaddition with alkynes and nitriles.

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