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623-03-0 Usage

Description

4-Chlorobenzonitrile, also known as 4-Cyanotoluene, is an organic compound with the chemical formula C7H4ClN. It is a slightly blue crystalline powder and chunks, which is a valuable building block in the synthesis of various organic compounds due to its reactivity and stability.

Uses

Used in Plastics Industry:
4-Chlorobenzonitrile is used as a precursor for the preparation of a red pigment, which is specifically utilized in the plastics industry to impart color and enhance the appearance of plastic products.
Used in Organic Synthesis:
In the field of organic synthesis, 4-Chlorobenzonitrile serves as a crucial intermediate for the preparation of amides. Amides are essential compounds in various chemical reactions and are widely used in the pharmaceutical, agrochemical, and material science industries.
Used in Dye Industry:
4-Chlorobenzonitrile is also employed as an intermediate in the synthesis of dyes. Dyes are used to color various materials, including textiles, plastics, and paints, making this compound an essential component in the dye industry.
Used in Pharmaceutical Industry:
Furthermore, 4-Chlorobenzonitrile is utilized as an intermediate in the development of active pharmaceutical ingredients. These ingredients are the biologically active components of drugs, making this compound a vital part of the pharmaceutical industry's research and development process.

Synthesis Reference(s)

The Journal of Organic Chemistry, 23, p. 1350, 1958 DOI: 10.1021/jo01103a031Synthetic Communications, 19, p. 1431, 1989 DOI: 10.1080/00397918908054553Tetrahedron Letters, 31, p. 1063, 1990 DOI: 10.1016/S0040-4039(00)94431-9

Flammability and Explosibility

Nonflammable

Check Digit Verification of cas no

The CAS Registry Mumber 623-03-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 3 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 623-03:
(5*6)+(4*2)+(3*3)+(2*0)+(1*3)=50
50 % 10 = 0
So 623-03-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H

623-03-0 Well-known Company Product Price

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  • Alfa Aesar

  • (A14524)  4-Chlorobenzonitrile, 99%   

  • 623-03-0

  • 50g

  • 517.0CNY

  • Detail
  • Alfa Aesar

  • (A14524)  4-Chlorobenzonitrile, 99%   

  • 623-03-0

  • 250g

  • 1354.0CNY

  • Detail
  • Alfa Aesar

  • (A14524)  4-Chlorobenzonitrile, 99%   

  • 623-03-0

  • 1000g

  • 4368.0CNY

  • Detail

623-03-0SDS

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 4-Chlorobenzonitrile

1.2 Other means of identification

Product number -
Other names 4-chloro-benzonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Pigments
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:623-03-0 SDS

623-03-0Synthetic route

4-chlorobenzaldehyde oxime
3717-24-6

4-chlorobenzaldehyde oxime

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With 1,3,5-trichloro-2,4,6-triazine In N,N-dimethyl-formamide at 20℃; for 4h; Beckmann rearrangement;100%
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; 4 A molecular sieve In acetonitrile at 80℃; for 0.166667h;89%
With carbon disulfide; sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In benzene for 0.5h; Ambient temperature;85%
para-Chlorobenzyl alcohol
873-76-7

para-Chlorobenzyl alcohol

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With ammonium hydroxide; oxygen In tert-Amyl alcohol at 130℃; under 3750.38 Torr; for 24h;100%
Stage #1: para-Chlorobenzyl alcohol With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; iodine In dichloromethane at 20℃; for 1h; Inert atmosphere;
Stage #2: With ammonia; iodine In dichloromethane; water at 20℃; for 2h; Inert atmosphere;
99%
With ammonia; oxygen In tert-Amyl alcohol; water at 100℃; under 3750.38 Torr; for 5h; Autoclave; High pressure;99%
4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With ammonia; iodine In tetrahydrofuran; water at 20℃; for 0.666667h;99%
With Nitroethane; pyridine hydrochloride for 1h; Heating;98%
With hydroxylamine hydrochloride; pyrographite; methanesulfonyl chloride at 100℃; for 2h;98%
4-chlorobenzamide
619-56-7

4-chlorobenzamide

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With N-methyl-N-trimethylsilyl-2,2,2-trifluoroacetamide; copper(l) chloride In toluene at 100℃; for 24h;99%
With 1,3,5-trichloro-2,4,6-triazine In N,N-dimethyl-formamide for 2h; Product distribution; Ambient temperature; also in (C2H5O)3PO, other temperature, other time;96%
With 1,3,5-trichloro-2,4,6-triazine In N,N-dimethyl-formamide for 2h; Ambient temperature;96%
4-chlorobenzaldoxime
3848-36-0

4-chlorobenzaldoxime

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With triethylamine In acetonitrile at 20℃; for 3h;99%
With pyrographite; methanesulfonyl chloride at 100℃; for 0.166667h;98%
With thionyl chloride; sodium sulfite at 0℃; for 0.0833333h;98%
4-chlorobenzylamine
104-86-9

4-chlorobenzylamine

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With oxygen In acetone at 20℃; for 3.2h; Electrochemical reaction;99%
With potassium hydroxide; nickel copper formate; (Bu4N)2S2O8 In 1,2-dichloro-ethane at 20℃; for 13h; Oxidation;95%
With [hydroxy(tosyloxy)iodo]benzene; ammonium acetate In water; acetonitrile at 80℃; for 3h;92%
4-chlorobenzoyl cyanide
13014-48-7

4-chlorobenzoyl cyanide

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0) In benzene at 120℃; for 12h;98%
4-chlorobenzaldehyde N,N-dimethylhydrazone
22699-29-2

4-chlorobenzaldehyde N,N-dimethylhydrazone

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With 3,3-dimethyldioxirane In acetone at 0℃; for 0.05h;98%
With magnesium monoperoxyphthalate hexahydrate In methanol at 0℃; for 0.0833333h;93%
1-Chloro-4-iodobenzene
637-87-6

1-Chloro-4-iodobenzene

potassium ferrocyanide

potassium ferrocyanide

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 2h; Inert atmosphere;98%
With sodium carbonate In N,N-dimethyl-formamide at 120℃; for 2h; Catalytic behavior;96%
With sodium carbonate In N,N-dimethyl-formamide at 120℃;96%
2-(4-chlorophenyl)-1,3,4-oxadiazole
23289-10-3

2-(4-chlorophenyl)-1,3,4-oxadiazole

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With sodium t-butanolate In N,N-dimethyl-formamide at 20℃; for 4h;98%
1-Chloro-4-iodobenzene
637-87-6

1-Chloro-4-iodobenzene

tert-butylisonitrile
119072-55-8, 7188-38-7

tert-butylisonitrile

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With copper (II) trifluoroacetate hydrate; palladium diacetate In dimethyl sulfoxide at 130℃; for 6h; Sealed tube; Inert atmosphere;98%
4-cyanophenylboronic acid
126747-14-6

4-cyanophenylboronic acid

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With N-chloro-succinimide In acetonitrile at 80℃; for 12h;98%
4-chloro-benzaldehyde-(O-benzoyl oxime )
18802-67-0

4-chloro-benzaldehyde-(O-benzoyl oxime )

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With iron(II) sulfate In 1,2-dichloro-ethane; 1,3,5-trimethyl-benzene at 20℃; for 0.25h;98%
With iron(III) chloride; 2,6-di-tert-butyl-4-methyl-phenol In toluene at 20℃; for 0.0833333h; Schlenk technique;85%
4-chlorothiobenzamide
2521-24-6

4-chlorothiobenzamide

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With polystyrene-bound diaryl telluroxide In dichloromethane for 1h; Ambient temperature;97%
With tellurium tetrachloride; triethylamine In chloroform for 3h; Ambient temperature;96%
With p-methoxybenzenetellurinic acid anhydride In dichloromethane for 0.5h; Ambient temperature;91%
(acetyloxy)(4-chlorophenyl)methyl acetate
13086-93-6

(acetyloxy)(4-chlorophenyl)methyl acetate

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With trimethylsilylazide; titanium tetrachloride In dichloromethane for 2h; Ambient temperature;97%
trimethylsilyl cyanide
7677-24-9

trimethylsilyl cyanide

4-chloro-benzoyl chloride
122-01-0

4-chloro-benzoyl chloride

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)nickel (0); triphenylphosphine In toluene at 110℃; for 1h; Schlenk technique; Inert atmosphere;96%
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 120℃; for 24h; Glovebox; Inert atmosphere; Sealed tube;53%
Trichloroacetyl chloride
76-02-8

Trichloroacetyl chloride

4-chlorobenzaldoxime
3848-36-0

4-chlorobenzaldoxime

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With triethylamine In dichloromethane for 1h; Ambient temperature;95%
N,N-dichloro-1-(4-chlorophenyl)methanamine

N,N-dichloro-1-(4-chlorophenyl)methanamine

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With triethylamine In dichloromethane at 25℃; for 1h;95%
With triethylamine at 20℃; for 0.333333h; Milling;0.161 g
bromochlorobenzene
106-39-8

bromochlorobenzene

sodium cyanide
773837-37-9

sodium cyanide

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With calcium dihydride; tri-tert-butyl phosphine; [Pd2(dba)5] In tetrahydrofuran; acetonitrile at 70℃; for 2h;95%
3-{[(4-chlorophenyl)methylene]amino}-2-phenylquinazolin-4(3H)-one
73861-02-6

3-{[(4-chlorophenyl)methylene]amino}-2-phenylquinazolin-4(3H)-one

A

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

B

2-phenyl-4(3H)-quinazolinone
1022-45-3

2-phenyl-4(3H)-quinazolinone

Conditions
ConditionsYield
at 200 - 240℃; under 1 Torr;A 94%
B n/a
bromochlorobenzene
106-39-8

bromochlorobenzene

potassiumhexacyanoferrate(II) trihydrate

potassiumhexacyanoferrate(II) trihydrate

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With 2-(2-methoxyphenyl)-1-methyl-3-(diphenylphosphino)-1H-indole; potassium tert-butylate; triethylamine; bis(dibenzylideneacetone)-palladium(0) In dichloromethane; water; acetonitrile at 50℃; for 24h; Inert atmosphere;94%
With [Pd{C6H4(CH2N(CH2Ph)2)}(μ-Br)]2; tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 130℃; for 0.0833333h; Microwave irradiation; chemoselective reaction;93%
With tris-(dibenzylideneacetone)dipalladium(0); tris(2-morpholinophenyl)phosphine; potassium carbonate In water; tert-butyl alcohol at 85℃; for 10h; Schlenk technique; Inert atmosphere;80%
bromochlorobenzene
106-39-8

bromochlorobenzene

potassium ferrocyanide

potassium ferrocyanide

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With [Pd{C6H3(CH2CH2NH2)-4-OMe-5-κ2-C,N}(μ-Br)]2; potassium carbonate In N,N-dimethyl-formamide at 130℃; for 0.0666667h; Microwave irradiation; chemoselective reaction;94%
With sodium carbonate In N,N-dimethyl-formamide at 120℃; for 2h; Catalytic behavior;92%
With sodium carbonate In N,N-dimethyl-formamide at 120℃;92%
1-Chloro-4-iodobenzene
637-87-6

1-Chloro-4-iodobenzene

acetonitrile
75-05-8

acetonitrile

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With copper diacetate; Triphenylphosphine oxide; silver(l) oxide at 125℃; for 72h;94%
4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

potassium ferrocyanide

potassium ferrocyanide

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With Aloe vera mediated silver nanoparticles In water at 50℃; for 0.5h; Green chemistry;94%
4-Chlorophenylboronic acid
1679-18-1

4-Chlorophenylboronic acid

N-(4-chlorophenyl)-N-cyano-4-nitrobenzenesulfonamide

N-(4-chlorophenyl)-N-cyano-4-nitrobenzenesulfonamide

A

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

B

4-nitro-N-(4-chlorophenyl)benzenesulfonamide
16937-03-4

4-nitro-N-(4-chlorophenyl)benzenesulfonamide

Conditions
ConditionsYield
With Fe3O4/SiO2/(3-chloropropyl)trimethoxysilane/2,2′-(4,4′-(propane-1,3-diyl)bis(piperazine-4,1-diyl))- diethanamine/Pd In acetonitrile for 10h; Catalytic behavior; Reflux;A 94%
B n/a
1-Chloro-4-iodobenzene
637-87-6

1-Chloro-4-iodobenzene

potassium cyanide
151-50-8

potassium cyanide

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; 1,1'-bis-(diphenylphosphino)ferrocene In various solvent(s) at 60℃; for 2h;93%
(4-chlorphenyl)magnesium bromide
873-77-8

(4-chlorphenyl)magnesium bromide

pyridin-2-yl cyanate
175351-40-3

pyridin-2-yl cyanate

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
In tetrahydrofuran at 0℃; for 0.166667h;93%
5-(tert-butyl)-3-((p-chloro)phenyl)-5H-1,2,4-oxathiazole
553679-98-4

5-(tert-butyl)-3-((p-chloro)phenyl)-5H-1,2,4-oxathiazole

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With benzylamine In chloroform at 20℃; for 12h;93%
1-Chloro-4-iodobenzene
637-87-6

1-Chloro-4-iodobenzene

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

Conditions
ConditionsYield
With sodium carbonate; potassium ferrocyanide In N,N-dimethyl-formamide at 120℃; for 5h;93%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

5-(4-chlorophenyl)-1H-tetrazole
16687-61-9

5-(4-chlorophenyl)-1H-tetrazole

Conditions
ConditionsYield
With sodium azide; copper(II) sulfate In dimethyl sulfoxide at 140℃; for 0.5h;100%
With sodium azide In dimethyl sulfoxide at 140℃; for 0.833333h;100%
With sodium azide In dimethyl sulfoxide at 120℃; for 0.166667h; Green chemistry;100%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

4-chlorobenzamidoxime
5033-28-3

4-chlorobenzamidoxime

Conditions
ConditionsYield
With hydroxylamine hydrochloride; sodium In methanol100%
With hydroxylamine In ethanol; water for 8h; Reflux;100%
With potassium fluoride; hydroxylamine hydrochloride at 100℃; for 1h;98%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

4-chlorobenzamide
619-56-7

4-chlorobenzamide

Conditions
ConditionsYield
With C18H57O3P6Ru2(1+)*C6H5O(1-)*C6H6O; water In 1,4-dioxane for 6h; Time; Sealed tube; Inert atmosphere; Schlenk technique;100%
With water; tricyclohexylphosphine; {Rh(OMe)(cod)}2 In isopropyl alcohol at 25℃; for 24h;99%
With manganese(IV) oxide In dichloromethane at 40℃; under 760.051 Torr; for 2h; Molecular sieve;99%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

benzonitrile
100-47-0

benzonitrile

Conditions
ConditionsYield
With potassium tert-butylate; N,N-dimethyl-formamide at 35℃; for 24h; Schlenk technique; Inert atmosphere; Irradiation;100%
With C60H48BP3Pd; potassium formate; [2.2.2]cryptande In tetrahydrofuran at 60℃; for 72h; Schlenk technique; Inert atmosphere;99%
With formic acid; Cyclohexanethiol; 10-phenyl-10H-phenothiazine; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; under 2625.26 Torr; for 0.05h; Catalytic behavior; Reagent/catalyst; Time; Wavelength; Irradiation; Flow reactor;96%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

indole
120-72-9

indole

4-(1H-indol-1-yl)benzonitrile
25699-92-7

4-(1H-indol-1-yl)benzonitrile

Conditions
ConditionsYield
With 1,1'-bis-(diphenylphosphino)ferrocene; bis(1,5-cyclooctadiene)nickel(0); lithium tert-butoxide In toluene at 110℃; for 16h; Reagent/catalyst; Sealed tube; Inert atmosphere;100%
With C45H39BrNiOP2; lithium tert-butoxide; phenylboronic acid In toluene at 110℃; for 16h; Reagent/catalyst; Inert atmosphere; Glovebox; Sealed tube;99%
With C34H45ClNiO6P2; lithium tert-butoxide at 65℃;91%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

phenylboronic acid
98-80-6

phenylboronic acid

4-cyano-1,1'-biphenyl
2920-38-9

4-cyano-1,1'-biphenyl

Conditions
ConditionsYield
With tris-(dibenzylideneacetone)dipalladium(0); Py2NPtBu2; sodium t-butanolate In tetrahydrofuran at 60℃; for 24h; Suzuki coupling;100%
With caesium carbonate; polymer-supp. 11-(2-[Pd(OAc)2]-1-Mes-imidazol-3-yl)undecanol In 1,4-dioxane at 80℃; for 0.5h; Suzuki-Miyaura coupling;100%
With C38H53Cl2N2O2PPd*CH2Cl2; tetrabutylammomium bromide; potassium hydroxide In water at 80℃; for 6h; Suzuki-Miyaura Coupling; Schlenk technique;100%
morpholine
110-91-8

morpholine

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

4-morpholinobenzonitrile
10282-31-2

4-morpholinobenzonitrile

Conditions
ConditionsYield
With 2-(dicyclohexylphosphino)-4'-(N,N-dimethylamino)-1,1'-biphenyl at 20℃;100%
With potassium hydroxide; XPhos; palladium diacetate In water; toluene at 100℃; for 0.5h; Buchwald-Hartwig amination; microwave irradiation;99%
With tris(dibenzylideneacetone)dipalladium (0); (-)-2-(dicyclohexylphosphino)-2'-(dimethylamino)-1,1'-binaphthyl; sodium t-butanolate In 1,2-dimethoxyethane Ambient temperature;96%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

6-tert-butyl-12-phenyl-5,6,7,12-tetrahydro-6-aza-12-bisma-dibenzo[a,d]cyclooctene

6-tert-butyl-12-phenyl-5,6,7,12-tetrahydro-6-aza-12-bisma-dibenzo[a,d]cyclooctene

4-cyano-1,1'-biphenyl
2920-38-9

4-cyano-1,1'-biphenyl

Conditions
ConditionsYield
With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate In 1-methyl-pyrrolidin-2-one at 100℃; for 12h;100%
styrene
292638-84-7

styrene

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

A

(E)-1-cyano-4-styryl-benzene
13041-79-7

(E)-1-cyano-4-styryl-benzene

B

1-(4-cyanophenyl)-1-phenylethylene
81329-28-4

1-(4-cyanophenyl)-1-phenylethylene

Conditions
ConditionsYield
With C28H24FN2O3PPd; tetrabutylammomium bromide; sodium acetate at 140℃; for 12h; Catalytic behavior; Inert atmosphere; Schlenk technique; regioselective reaction;A 100%
B n/a
With C27H21F3N6OPd; tetrabutylammomium bromide; sodium acetate at 140℃; for 2h; Heck reaction; Inert atmosphere;
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

2,6-dimethylbenzene boronic acid
100379-00-8

2,6-dimethylbenzene boronic acid

2',6'-dimethyl-[1,1'-biphenyl]-4-carbonitrile

2',6'-dimethyl-[1,1'-biphenyl]-4-carbonitrile

Conditions
ConditionsYield
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate In tetrahydrofuran for 24h; Suzuki coupling; Inert atmosphere; Reflux;100%
With C51H40ClN3O5P2Pd; sodium hydroxide In water at 80℃; for 9h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Suzuki-Miyaura Coupling;90%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

(S)-valinol
2026-48-4

(S)-valinol

(-)-(4S)-2-(4'-chlorophenyl)-4,5-dihydro-4-isopropyloxazole
565455-78-9

(-)-(4S)-2-(4'-chlorophenyl)-4,5-dihydro-4-isopropyloxazole

Conditions
ConditionsYield
In neat (no solvent) at 240℃; for 1.66667h; Temperature; Microwave irradiation;100%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

4-Methoxystyrene
637-69-4

4-Methoxystyrene

(E)-4-cyano-4'-methoxystilbene
57193-97-2

(E)-4-cyano-4'-methoxystilbene

Conditions
ConditionsYield
With C28H24FN2O3PPd; tetrabutylammomium bromide; sodium acetate at 140℃; for 12h; Catalytic behavior; Inert atmosphere; Schlenk technique; regioselective reaction;100%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

acrylic acid methyl ester
292638-85-8

acrylic acid methyl ester

(E)-pentyl 3-(4-cyanophenyl)acrylate

(E)-pentyl 3-(4-cyanophenyl)acrylate

Conditions
ConditionsYield
With C32H27N4O2Pd(1+)*BF4(1-); sodium acetate at 140℃; for 12h; Inert atmosphere; Schlenk technique; Green chemistry;100%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

2,4,6-tris-(4-chloro-phenyl)-[1,3,5]triazine
3114-54-3

2,4,6-tris-(4-chloro-phenyl)-[1,3,5]triazine

Conditions
ConditionsYield
With ammonia; lanthanum(lll) triflate at 200℃; for 24h; in a stainless steel pressure vessel;99%
With zinc(II) chloride at 300℃; for 60h;71%
With chlorosulphuric acid
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

4-chlorobenzylamine
104-86-9

4-chlorobenzylamine

Conditions
ConditionsYield
With [Ru(H)(BH4)(CO)(PPh3)(3-(di-tert-butylphosphino)-N-((1-methyl-1H-imidazol-2 yl)methyl)propylamine)]; hydrogen In isopropyl alcohol at 70℃; for 3h; Inert atmosphere; Autoclave;99%
With ammonia; hydrogen In water; isopropyl alcohol at 80℃; under 15001.5 Torr; for 24h; Autoclave;98%
With C19H34Cl2CoN2P; hydrogen; sodium ethanolate; sodium triethylborohydride In benzene at 135℃; under 22502.3 Torr; for 36h; Autoclave;93%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

(4-chlorophenyl)methanamine hydrochloride
42365-43-5

(4-chlorophenyl)methanamine hydrochloride

Conditions
ConditionsYield
Stage #1: 4-Cyanochlorobenzene With [2,6-η6:η1-bis(2,4,6-trimethylphenyl)phenylthiolato]triethylphosphineruthenium(II)tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; diethylphenylsilane at 20℃; for 18h; Glovebox; Inert atmosphere;
Stage #2: With hydrogenchloride In diethyl ether at 20℃; for 1h; Glovebox; Inert atmosphere;
99%
Stage #1: 4-Cyanochlorobenzene With fac-[Mn(1,2-bis(di-n-propylphosphino)ethane)(CO)3(CH3)]; hydrogen In toluene at 100℃; under 37503.8 Torr; for 18h; Autoclave;
Stage #2: With hydrogenchloride In diethyl ether Inert atmosphere;
96%
Stage #1: 4-Cyanochlorobenzene With 1,1,3,3-Tetramethyldisiloxane; 1,2,3-trimethoxy glycerol ether; copper(II) bis(trifluoromethanesulfonate) at 100℃; for 24h; Inert atmosphere; Sealed tube; Green chemistry;
Stage #2: With hydrogenchloride In diethyl ether at 20℃; for 0.0833333h; Green chemistry;
94%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

4-chloroselenobenzamide
67213-28-9

4-chloroselenobenzamide

Conditions
ConditionsYield
With selenium; carbon monoxide; water; triethylamine In tetrahydrofuran at 100℃; under 3800 Torr; for 5h;99%
Stage #1: 4-Cyanochlorobenzene With woollins’ reagent In toluene for 4h; Heating;
Stage #2: With water In toluene for 1h;
95%
With pyridine; hydrogenchloride; sodium hydrogen selenide In ethanol for 3.5h; Heating;93%
styrene
292638-84-7

styrene

4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

(E)-1-cyano-4-styryl-benzene
13041-79-7

(E)-1-cyano-4-styryl-benzene

Conditions
ConditionsYield
With tetrakis[μ-1-[(3-methoxyphenyl)methyl]-2-phenyl-3-[2-oxo-2-[(2-phenolato-kO)aminokN]ethyl]-1H-imidazoliumato-kC4]tetrapalladium; tetrabutylammomium bromide; sodium acetate at 140℃; for 2h; Heck Reaction;99%
With tetrabutylammomium bromide; sodium acetate; C84H60N12O8Pd4 at 140℃; for 2h; Heck Reaction; Inert atmosphere; Schlenk technique;99%
With tetrabutylammonium acetate; palladium diacetate; DavePhos In 1,4-dioxane at 80℃; for 24h; Heck reaction; Inert atmosphere; Sealed tube;98%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

p-(p-tolyl)benzonitrile
50670-50-3

p-(p-tolyl)benzonitrile

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride; potassium carbonate In water at 100℃; for 22h; Suzuki-Miyaura coupling;99%
With tetrabutylammomium bromide; nickel; sodium carbonate; triphenylphosphine In ethanol at 80℃; for 6h; Suzuki-Miyaura reaction;95%
With potassium carbonate In water at 80 - 90℃; for 12h; Suzuki-Miyaura cross-coupling;95%
Conditions
ConditionsYield
With tetrabutylammomium bromide; sodium acetate; C27H21FN4O2Pd at 140℃; for 2h; Heck Reaction; Schlenk technique; Inert atmosphere;99%
With potassium tert-butylate In water at 100℃; for 16h; Catalytic behavior; Reagent/catalyst; Solvent; Heck Reaction; Green chemistry;95%
With [Pd(O(C(O)CH)2)(CN(CH2C(O)NHC6H5)CHCHNCH2C6H5)2]; sodium acetate at 140℃; for 2h; Heck coupling; Ionic liquid; Inert atmosphere; regioselective reaction;90%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

2-Methylphenylboronic acid
16419-60-6

2-Methylphenylboronic acid

4-cyano-2'-methyl-1,1'-biphenyl
189828-30-6

4-cyano-2'-methyl-1,1'-biphenyl

Conditions
ConditionsYield
With caesium carbonate; tris(dibenzylideneacetone)dipalladium (0) In 1,4-dioxane at 100℃; for 2.8h; Suzuki-Miyaura reaction;99%
With C84H64Cl3N3Pd; potassium carbonate In ethanol at 80℃; for 2h; Suzuki-Miyaura Coupling;98%
With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); potassium carbonate In ethanol; water at 80℃; for 4h; Suzuki-Miyaura Coupling; Sealed tube; Green chemistry;97%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

(S)-4-Benzyl-2-oxazolidinone
90719-32-7

(S)-4-Benzyl-2-oxazolidinone

4-[(4S)-2-oxo-4-(phenylmethyl)-3-oxazolidinyl]benzonitrile

4-[(4S)-2-oxo-4-(phenylmethyl)-3-oxazolidinyl]benzonitrile

Conditions
ConditionsYield
With tris(dibenzylideneacetone)dipalladium (0); caesium carbonate; johnphos In toluene at 115℃; for 15h;99%
With potassium phosphate; [(π-allyl)Pd(tBuBrettPhos)]OTf In tert-butyl alcohol at 110℃; for 3h; Schlenk technique; Inert atmosphere; Sealed tube;95%
With (PAd2-DalPhos)NiCl(o-tol); caesium carbonate In 1,4-dioxane at 90℃; for 18h; Inert atmosphere; Glovebox; Sealed tube;64%
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

(p-hydroxyphenyl)boronic acid
71597-85-8

(p-hydroxyphenyl)boronic acid

4-Cyano-4'-hydroxybiphenyl
19812-93-2

4-Cyano-4'-hydroxybiphenyl

Conditions
ConditionsYield
With potassium phosphate; catacxium A; palladium diacetate In toluene at 100℃; for 20h; Suzuki cross-coupling reaction;99%

623-03-0Relevant articles and documents

-

Jordan,Dyas,Hill

, p. 2383,2385 (1941)

-

Nitrile Synthesis via Desulfonylative-Smiles Rearrangement

Abe, Masahiro,Nitta, Sayasa,Miura, Erina,Kimachi, Tetsutaro,Inamoto, Kiyofumi

, p. 4460 - 4467 (2022/03/15)

Herein, we designed a simple nitrile synthesis from N-[(2-nitrophenyl)sulfonyl]benzamides via base-promoted intramolecular nucleophilic aromatic substitution. The process features redox-neutral conditions as well as no requirement of toxic cyanide species and transition metals. Our process shows broad scope and various functional group compatibility, affording a variety of (hetero)aromatic nitriles in good to excellent yields.

Efficient nitriding reagent and application thereof

-

Paragraph 0203-0205, (2021/03/31)

The invention discloses an efficient nitriding reagent and application thereof, wherein the nitriding reagent comprises nitrogen oxide, an active agent, a reducing agent and an organic solvent. By applying the nitriding reagent, nitrogen-containing compounds such as amide, nitrile and the like can be produced, and the method is simple in condition, low in waste discharge amount and simple in reaction equipment.

Method for dehydrating primary amide into nitriles under catalysis of cobalt

-

Paragraph 0060-0062, (2021/06/21)

The invention provides a method for dehydrating primary amide into nitrile. The method comprises the following steps: mixing primary amide (II), silane, sodium triethylborohydride, aminopyridine imine tridentate nitrogen ligand cobalt complex (I) and a reaction solvent under the protection of inert gas, carrying out reacting at 60-100 DEG C for 6-24 hours, and post-treating reaction liquid to obtain a nitrile compound (III). According to the invention, an effective method for preparing nitrile compounds by cobalt-catalyzed primary amide dehydration reaction by using the novel aminopyridine imine tridentate nitrogen ligand cobalt complex catalyst is provided; and compared with existing methods, the method has the advantages of simple operation, mild reaction conditions, wide application range of reaction substrates, high selectivity, stable catalyst, high efficiency, and relatively high practical application value in synthesis.

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