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811-51-8 Usage

Uses

Sodium Ethanethiolate is a catalytic oxidation agent used to separate reaction products under high-gravity field.

General Description

Reaction of FeCl2 or FeCl3 with sodium ethanethiolate in N-methylformamide (NMF) has been evaluated. Reaction of sodium ethanethiolate with substituted 1,2-dithiole-3-thiones has been studied.

Check Digit Verification of cas no

The CAS Registry Mumber 811-51-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,1 and 1 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 811-51:
(5*8)+(4*1)+(3*1)+(2*5)+(1*1)=58
58 % 10 = 8
So 811-51-8 is a valid CAS Registry Number.
InChI:InChI=1/C2H6S.Na/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1/rC2H5NaS/c1-2-4-3/h2H2,1H3

811-51-8 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
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  • Detail
  • Aldrich

  • (359297)  Sodiumethanethiolate  technical grade, 80%

  • 811-51-8

  • 359297-10G

  • 1,320.93CNY

  • Detail
  • Aldrich

  • (71208)  Sodiumethanethiolate  technical, ~90% (RT)

  • 811-51-8

  • 71208-10G

  • 1,447.29CNY

  • Detail
  • Aldrich

  • (71208)  Sodiumethanethiolate  technical, ~90% (RT)

  • 811-51-8

  • 71208-50G

  • 5,610.15CNY

  • Detail

811-51-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name sodium,ethanethiolate

1.2 Other means of identification

Product number -
Other names sodium thiomethoxide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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:811-51-8 SDS

811-51-8Synthetic route

ethanethiol
75-08-1

ethanethiol

sodium thioethylate
811-51-8

sodium thioethylate

Conditions
ConditionsYield
With sodium for 48h; Ambient temperature;90%
With diethyl ether; sodium
With sodium Yield given;
Diethyl disulfide
110-81-6

Diethyl disulfide

diethyl ether
60-29-7

diethyl ether

1,2-disodiotetraphenylethane
7381-16-0

1,2-disodiotetraphenylethane

A

1,1,2,2-tetraphenylethylene
632-51-9

1,1,2,2-tetraphenylethylene

B

sodium thioethylate
811-51-8

sodium thioethylate

sodium ethanolate
141-52-6

sodium ethanolate

ethanethiol
75-08-1

ethanethiol

sodium thioethylate
811-51-8

sodium thioethylate

2-ethylisothiourea hydrobromide
1071-37-0

2-ethylisothiourea hydrobromide

sodium thioethylate
811-51-8

sodium thioethylate

Conditions
ConditionsYield
With sodium hydroxide In ethanol for 1.5h; Heating;
S-ethyl diphenylphosphorothiolate
3096-04-6

S-ethyl diphenylphosphorothiolate

A

sodium diphenylphosphinate
22214-04-6

sodium diphenylphosphinate

B

sodium thioethylate
811-51-8

sodium thioethylate

Conditions
ConditionsYield
With sodium hydroxide In water; acetonitrile at 25℃; Rate constant; effect of H2O-MeCN proportion; further base and solvent;
Diethyl disulfide
110-81-6

Diethyl disulfide

diethyl ether
60-29-7

diethyl ether

sodium

sodium

sodium thioethylate
811-51-8

sodium thioethylate

Diethyl disulfide
110-81-6

Diethyl disulfide

ethanol
64-17-5

ethanol

sodium

sodium

sodium thioethylate
811-51-8

sodium thioethylate

Diethyl disulfide
110-81-6

Diethyl disulfide

ammonia
7664-41-7

ammonia

sodium

sodium

sodium thioethylate
811-51-8

sodium thioethylate

diethyl sulphide
352-93-2

diethyl sulphide

ammonia
7664-41-7

ammonia

sodium

sodium

A

ethane
74-84-0

ethane

B

sodium amide

sodium amide

C

sodium thioethylate
811-51-8

sodium thioethylate

3-(ethylthio)propyl chloride
4911-66-4

3-(ethylthio)propyl chloride

toluene
108-88-3

toluene

sodium

sodium

A

3,7-dithianonane
33672-52-5

3,7-dithianonane

B

cyclopropane
75-19-4

cyclopropane

C

sodium thioethylate
811-51-8

sodium thioethylate

{PPN}{EtSFe(CO)4}
119435-53-9

{PPN}{EtSFe(CO)4}

{PPN}{SPh}
769163-80-6

{PPN}{SPh}

{PPN}{PhSFe(CO)4}
119435-51-7

{PPN}{PhSFe(CO)4}

B

sodium thioethylate
811-51-8

sodium thioethylate

Conditions
ConditionsYield
With Na(1+) In tetrahydrofuran presence of Na(1+), 10 min, pptn of EtSNa;
o-ethylmercapto-benzonitrile
64633-76-7

o-ethylmercapto-benzonitrile

sodium thioethylate
811-51-8

sodium thioethylate

Conditions
ConditionsYield
Stage #1: o-ethylmercapto-benzonitrile With hydrogenchloride; water; chlorine In chlorobenzene at 45 - 70℃; for 3h;
Stage #2: With sodium hydrogen sulfide; tetrabutylammomium bromide In water; chlorobenzene at 30℃; for 7h; Inert atmosphere;
74 g
2-chloro-6-(methylsulfonyl)pyridine
87512-29-6

2-chloro-6-(methylsulfonyl)pyridine

sodium thioethylate
811-51-8

sodium thioethylate

2-chloro-6-ethylsulphenylpyridine
87512-13-8

2-chloro-6-ethylsulphenylpyridine

Conditions
ConditionsYield
With 18-crown-6 ether In benzene for 0.25h; Heating;100%
In ethanol for 1.5h; Ambient temperature;90%
diethyl chlorophosphate
814-49-3

diethyl chlorophosphate

sodium thioethylate
811-51-8

sodium thioethylate

O,O,S-triethyl phosphorothioate
1186-09-0

O,O,S-triethyl phosphorothioate

Conditions
ConditionsYield
In diethyl ether at 20℃; for 1.5h;100%
4-bromoethylbutanoate
2969-81-5

4-bromoethylbutanoate

sodium thioethylate
811-51-8

sodium thioethylate

4-ethylthiobutyric acid ethyl ester
208593-59-3

4-ethylthiobutyric acid ethyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 0 - 20℃; for 15h;100%
carbon disulfide
75-15-0

carbon disulfide

sodium thioethylate
811-51-8

sodium thioethylate

bis(ethylsulfanyl thiocarbonyl)disulfide
10219-97-3

bis(ethylsulfanyl thiocarbonyl)disulfide

Conditions
ConditionsYield
Stage #1: carbon disulfide; sodium thioethylate In diethyl ether at 0 - 20℃;
Stage #2: With iodine In diethyl ether at 20℃; for 2h;
100%
Stage #1: carbon disulfide; sodium thioethylate In diethyl ether at 0 - 20℃; for 2h;
Stage #2: With iodine In diethyl ether at 20℃; for 2h;
78.8%
1-((6-(bromomethyl)pyridin-2-yl)methyl)-3-methyl-1H-benzo[d]imidazol-3-ium bromide

1-((6-(bromomethyl)pyridin-2-yl)methyl)-3-methyl-1H-benzo[d]imidazol-3-ium bromide

sodium thioethylate
811-51-8

sodium thioethylate

C17H20N3S(1+)*Br(1-)

C17H20N3S(1+)*Br(1-)

Conditions
ConditionsYield
In acetonitrile at 20℃; for 5h; Inert atmosphere;100%
5-(2-fluoro-4-(trifluoromethyl)phenyl)-1-methyl-1H-imidazole

5-(2-fluoro-4-(trifluoromethyl)phenyl)-1-methyl-1H-imidazole

sodium thioethylate
811-51-8

sodium thioethylate

5-(2-(ethylthio)-4-(trifluoromethyl)phenyl)-1-methyl-1H-imidazole

5-(2-(ethylthio)-4-(trifluoromethyl)phenyl)-1-methyl-1H-imidazole

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 6h; Reflux;100%
5-(benzyloxy)-2′-chloro-5′-fluoro-2,4′-bipyridine

5-(benzyloxy)-2′-chloro-5′-fluoro-2,4′-bipyridine

sodium thioethylate
811-51-8

sodium thioethylate

5-(benzyloxy)-2′-chloro-5′-(ethylthio)-2,4'-bipyridine

5-(benzyloxy)-2′-chloro-5′-(ethylthio)-2,4'-bipyridine

Conditions
ConditionsYield
In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 2h;100%
6-chloro-pyridazin-3-ylamine
5469-69-2

6-chloro-pyridazin-3-ylamine

sodium thioethylate
811-51-8

sodium thioethylate

3-amino-6-ethylthiopyridazine
89465-42-9

3-amino-6-ethylthiopyridazine

Conditions
ConditionsYield
In ethanol for 53h; Heating;99%
Ni(1,3-imidazolidinyl-N,N'-bis(benzene-2-thiolate)2) * DMF

Ni(1,3-imidazolidinyl-N,N'-bis(benzene-2-thiolate)2) * DMF

tetrabutyl-ammonium chloride
1112-67-0

tetrabutyl-ammonium chloride

sodium thioethylate
811-51-8

sodium thioethylate

NBu4[Ni(SEt)(1,3-imidazolidinyl-N,N'-bis(benzene-2-thiolate))] * THF

NBu4[Ni(SEt)(1,3-imidazolidinyl-N,N'-bis(benzene-2-thiolate))] * THF

Conditions
ConditionsYield
In methanol N2-atmosphere; mixing Ni-complex with excess NaSEt, filtration (after 1 d), addn. of excess Bu4NCl; crystn. (-30°C, 3 d), collection (filtration), washing (THF, hexane), drying (vac., 2 h); elem. anal.;99%
2-bromo-4-(bromomethyl)-1-(2,4-difluorophenoxy)benzene

2-bromo-4-(bromomethyl)-1-(2,4-difluorophenoxy)benzene

sodium thioethylate
811-51-8

sodium thioethylate

(3-bromo-4-(2,4-difluorophenoxy)benzyl)(ethyl)sulfane
1446236-31-2

(3-bromo-4-(2,4-difluorophenoxy)benzyl)(ethyl)sulfane

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 4h;99%
In N,N-dimethyl-formamide at 20℃; for 4h; Inert atmosphere;99%
In N,N-dimethyl-formamide at 20℃; for 4h;1.30 g
In N,N-dimethyl-formamide at 20℃; for 6h;
1-benzyl-3-(2-bromoethyl)-1H-imidazol-3-ium bromide
1333403-17-0

1-benzyl-3-(2-bromoethyl)-1H-imidazol-3-ium bromide

sodium thioethylate
811-51-8

sodium thioethylate

1-benzyl-3-(2-(ethylthio)ethyl)-1H-imidazol-3-ium bromide

1-benzyl-3-(2-(ethylthio)ethyl)-1H-imidazol-3-ium bromide

Conditions
ConditionsYield
In acetonitrile at 20℃; for 15h; Schlenk technique; Inert atmosphere;99%
In acetonitrile at 25℃; Inert atmosphere; Schlenk technique;99%
5-cyclopropyl-3-fluoro-2-(1H-pyrazol-1-yl)pyridine

5-cyclopropyl-3-fluoro-2-(1H-pyrazol-1-yl)pyridine

sodium thioethylate
811-51-8

sodium thioethylate

5-cyclopropyl-3-(ethylthio)-2-(1H-pyrazol-1-yl)pyridine

5-cyclopropyl-3-(ethylthio)-2-(1H-pyrazol-1-yl)pyridine

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 3h;99%
N-Mesyloxytroponimine
180330-84-1

N-Mesyloxytroponimine

sodium thioethylate
811-51-8

sodium thioethylate

(2Z,4Z,6Z)-7-Ethylsulfanyl-hepta-2,4,6-trienenitrile

(2Z,4Z,6Z)-7-Ethylsulfanyl-hepta-2,4,6-trienenitrile

Conditions
ConditionsYield
In tetrahydrofuran; ethanol at -20℃; for 1h;98%
2,4-difluorophenylamine
367-25-9

2,4-difluorophenylamine

sodium thioethylate
811-51-8

sodium thioethylate

A

[2-(ethylthio)-4-fluorophenyl]amine

[2-(ethylthio)-4-fluorophenyl]amine

B

2-mercapto-4-fluoro-N-ethylaniline

2-mercapto-4-fluoro-N-ethylaniline

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 90 - 100℃;A 98%
B n/a
methyl 4-chloro-2-(4-fluorophenyl)quinazoline-7-carboxylate

methyl 4-chloro-2-(4-fluorophenyl)quinazoline-7-carboxylate

sodium thioethylate
811-51-8

sodium thioethylate

methyl 4-(ethylthio)-2-(4-fluorophenyl)quinazoline-7-carboxylate

methyl 4-(ethylthio)-2-(4-fluorophenyl)quinazoline-7-carboxylate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 1h;98%
1-benzyl-3,5-dichloro-6-methylpyrazin-2(1H)-one
173200-35-6

1-benzyl-3,5-dichloro-6-methylpyrazin-2(1H)-one

sodium thioethylate
811-51-8

sodium thioethylate

1-benzyl-5-chloro-3-(ethylsulfanyl)-6-methyl-2(1H)-pyrazinone
658071-58-0

1-benzyl-5-chloro-3-(ethylsulfanyl)-6-methyl-2(1H)-pyrazinone

Conditions
ConditionsYield
In tetrahydrofuran at 20℃;97%
4-(1,3-Dioxan-2-yl)-3-fluorobenzonitrile
1164204-49-2

4-(1,3-Dioxan-2-yl)-3-fluorobenzonitrile

sodium thioethylate
811-51-8

sodium thioethylate

4-(1,3-Dioxan-2-yl)-3-(ethylsulfanyl)benzonitrile
1164204-51-6

4-(1,3-Dioxan-2-yl)-3-(ethylsulfanyl)benzonitrile

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20 - 100℃; for 5h; Inert atmosphere;97%
methyl 2-[2-nitro-4-(trifluoromethyl)benzoylamino]-5-heptafluoroisopropylbenzoate

methyl 2-[2-nitro-4-(trifluoromethyl)benzoylamino]-5-heptafluoroisopropylbenzoate

sodium thioethylate
811-51-8

sodium thioethylate

methyl 2-[2-(ethylthio)-4-(trifluoromethyl)benzoylamino]-5-heptafluoroisopropylbenzoate

methyl 2-[2-(ethylthio)-4-(trifluoromethyl)benzoylamino]-5-heptafluoroisopropylbenzoate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 2h; Cooling with ice;97%
N-(3-Azido-propyl)-4-(benzotriazol-1-yl-phenylacetylamino-methyl)-benzamide
191796-98-2

N-(3-Azido-propyl)-4-(benzotriazol-1-yl-phenylacetylamino-methyl)-benzamide

sodium thioethylate
811-51-8

sodium thioethylate

N-(3-Azido-propyl)-4-(ethylsulfanyl-phenylacetylamino-methyl)-benzamide
191797-00-9

N-(3-Azido-propyl)-4-(ethylsulfanyl-phenylacetylamino-methyl)-benzamide

Conditions
ConditionsYield
In tetrahydrofuran for 4h; Ambient temperature;96%
2,6-dichloropyridine
2402-78-0

2,6-dichloropyridine

sodium thioethylate
811-51-8

sodium thioethylate

2,6-bis(ethylthio)pyridine
120716-68-9

2,6-bis(ethylthio)pyridine

Conditions
ConditionsYield
With sodium hydride In N,N,N,N,N,N-hexamethylphosphoric triamide; N,N-dimethyl-formamide at 0℃; for 10h;96%
(S)-3-(2-fluoro-6-methoxy-phenoxymethyl)-piperidine-1-carboxylic acid tert-butyl ester
1008563-10-7

(S)-3-(2-fluoro-6-methoxy-phenoxymethyl)-piperidine-1-carboxylic acid tert-butyl ester

sodium thioethylate
811-51-8

sodium thioethylate

(S)-3-(2-fluoro-6-hydroxy-phenoxymethyl)-piperidine-1-carboxylic acid tert-butyl ester
1008563-09-4

(S)-3-(2-fluoro-6-hydroxy-phenoxymethyl)-piperidine-1-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
Stage #1: (S)-3-(2-fluoro-6-methoxy-phenoxymethyl)-piperidine-1-carboxylic acid tert-butyl ester; sodium thioethylate In 1-methyl-pyrrolidin-2-one at 100℃; for 8h;
Stage #2: With water In 1-methyl-pyrrolidin-2-one; diethyl ether; sodium chloride
96%
C11H13BrO4
234097-63-3

C11H13BrO4

sodium thioethylate
811-51-8

sodium thioethylate

(1S,2S,4R)-3,3-Bis-ethylsulfanyl-1-methoxy-4-methyl-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester

(1S,2S,4R)-3,3-Bis-ethylsulfanyl-1-methoxy-4-methyl-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester

Conditions
ConditionsYield
In tetrahydrofuran at 0℃; for 2h;96%
2-fluoro-5-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid
1314258-38-2

2-fluoro-5-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid

sodium thioethylate
811-51-8

sodium thioethylate

2-(ethylthio)-5-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid
1314259-10-3

2-(ethylthio)-5-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid

Conditions
ConditionsYield
Stage #1: 2-fluoro-5-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid; sodium thioethylate With caesium carbonate In ISOPROPYLAMIDE at 90℃; for 4h;
Stage #2: With hydrogenchloride In ISOPROPYLAMIDE; water pH=4.5;
96%
N-(2-acetylphenyl)-2-propenamide
104373-96-8

N-(2-acetylphenyl)-2-propenamide

sodium thioethylate
811-51-8

sodium thioethylate

N-(2-acetylphenyl)-3-(ethylthio)propanamide

N-(2-acetylphenyl)-3-(ethylthio)propanamide

Conditions
ConditionsYield
In tetrahydrofuran; water at 60℃; for 4h;96%
2-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine

2-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine

sodium thioethylate
811-51-8

sodium thioethylate

2-(2-chloro-5-(ethylthio)pyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine

2-(2-chloro-5-(ethylthio)pyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine

Conditions
ConditionsYield
In tetrahydrofuran at -5℃; for 2h;96%
5,6-dichloro-2-pyridinecarboxylic acid
88912-24-7

5,6-dichloro-2-pyridinecarboxylic acid

sodium thioethylate
811-51-8

sodium thioethylate

5,6-bis-ethylpyridine-2-carboxylic acid
85330-80-9

5,6-bis-ethylpyridine-2-carboxylic acid

Conditions
ConditionsYield
In dimethyl sulfoxide at 130 - 135℃; for 2h;95%
bronidox
30007-47-7

bronidox

sodium thioethylate
811-51-8

sodium thioethylate

A

Diethyl disulfide
110-81-6

Diethyl disulfide

B

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane
86251-74-3

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane

Conditions
ConditionsYield
In dimethyl sulfoxide for 3h; Ambient temperature;A 95%
B 90%
5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane
86251-74-3

5-nitro-5-(5-nitro-1,3-dioxa-5-cyclohexyl)-1,3-dioxacyclohexane

sodium thioethylate
811-51-8

sodium thioethylate

A

Diethyl disulfide
110-81-6

Diethyl disulfide

B

5-(1,3-dioxa-5-cyclohexylidene)-1,3-dioxane
86251-75-4

5-(1,3-dioxa-5-cyclohexylidene)-1,3-dioxane

Conditions
ConditionsYield
for 3h;A 95%
B 92%
1-Iodosilatrane
33446-83-2

1-Iodosilatrane

sodium thioethylate
811-51-8

sodium thioethylate

1-(ethylthio)silatrane

1-(ethylthio)silatrane

Conditions
ConditionsYield
In dichloromethane at 40℃; for 3h;95%
In dichloromethane at 30℃; for 3h; Yield given;
2-carboxymethyl-3-trifluoromethansulfonyloxy-5α-cholest-2-eno
159721-40-1

2-carboxymethyl-3-trifluoromethansulfonyloxy-5α-cholest-2-eno

ethanethiol
75-08-1

ethanethiol

sodium thioethylate
811-51-8

sodium thioethylate

(5S,8R,9S,10S,13R,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-3-ethylsulfanyl-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid methyl ester
159721-41-2

(5S,8R,9S,10S,13R,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-3-ethylsulfanyl-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid methyl ester

Conditions
ConditionsYield
for 15h; Ambient temperature;95%

811-51-8Relevant articles and documents

Chemical and Theoretical Comparison between Phosphido (X = PR2) and Thiolato (X = SR) Bent Niobocenes of the Type . Structure of >

Kubicki, Marek M.,Oudet, Pascal,Martin, Christine,Barre, Christophe

, p. 3699 - 3704 (1995)

The hydrido complexes reacted with MeI to afford the iodo derivatives 1.The reaction of 1 with Na(SEt) led to the terminal thiolato complexes 2.Compounds 2 were used to bind the metal carbonyl fragments Fe(CO)4 and M(CO)5 from and (thf = tetrahydrofuran) respectively.The corresponding monothiolato-bridged complexes n>> 3 (M = Fe, n = 4; M = Mo or W, n = 5) were obtained only in the case of L = CO and no dibridged μ-SEt, μ-Co complex was formed.The new complexes 1-3 were characterized by IR, 1H and 31P NMR spectroscopies.The X-ray analysis of > showed an endo position of the ethyl group with respect to the CO ligand bound to the niobium.The results of extended-Hueckel molecular orbital (EHMO) conformational calculations carried out on the model complexes and are compared, and the importance of electronic and steric effects deduced.An explanation for the non-formation of dibridged μ-SEt, μ-CO complexes is attempted on the basis of EHMO and X-ray results.

Synthesis and reactivity of thiolate-bridged multi-iron complexes supported by cyclic (alkyl)(amino)carbene

Zhang, Yanpeng,Mei, Tao,Yang, Dawei,Zhang, Yixin,Wang, Baomin,Qu, Jingping

, p. 15888 - 15896 (2017/12/02)

The combined utilization of Me2-cAAC (Me2-cAAC =:C(CH2)(CMe2)2N-2,6-iPr2C6H3) and thiolates as supporting ligands enables the access of unprecedented carbene coordinated thiolate-bridged diiron(ii) complexes [(Me2-cAAC)Fe(μ-SR)(Br)]2 (R = Me, 3; R = Et, 4). The coordination environment of each tetrahedral iron(ii) center in complexes 3 and 4 is composed of one terminal bromide atom, one carbene carbon atom and two thiolate sulfur atoms, which is similar to the carbide-containing sulfur-rich environment of iron centers in the belt region of the FeMo-cofactor. Interestingly, when NaSCPh3 was chosen as the thiolate ligand, C-S bond homolysis occurred to form a rare [3:1] site-differentiated cubane-type cluster [(Me2-cAAC)Fe4S4(Br)3][Me2-cAACH] (5). Furthermore, complexes 3 and 4 exhibit good exchange reactivity toward the azide anion to give novel thiolate-bridged diiron complexes with two azido ligands in a trans arrangement.

METHOD FOR PRODUCING 1,2-BENZISOTHIAZOL-3-ONE COMPOUND

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Paragraph 0075; 0076; 0077, (2014/02/15)

The present invention provides a method for producing a 1,2-benzisothiazol-3-one compound by reacting a 2-(alkylthio)benzonitrile compound with a halogenating agent in the presence of water, wherein an alkyl halide that is generated as by-product is reacted with a sulfide to form an alkylthiol, which is converted into an alkali metal salt, and then the resulting alkali metal salt is reacted with a 2-halobenzonitrile compound to be converted into a 2-(alkylthio)benzonitrile compound and reused as a starting material for the production of a 1,2-benzisothiazol-3-one compound. By means of the present invention, it is possible to efficiently use the by-product that is generated during the production of a 1,2-benzisothiazol-3-one compound and economically produce a 1,2-benzisothiazol-3-one compound without placing a burden on the environment.

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