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609-65-4 Usage

Chemical Description

2-Chlorobenzoyl chloride is a colorless liquid used in the synthesis of pharmaceuticals and agrochemicals.

Chemical Properties

clear colourless to very slightly yellow liquid

Uses

2-Chlorobenzoyl chloride, is used in organic synthesis. It is used as a pharmaceutical intermediate for eg as an intermediate of clotrimazolc, preparation of p-chlorobenzoic acid and production of trichloro-acaricide.

Definition

ChEBI: An acyl chloride consisting of benzoyl chloride having a chloro substituent in the ortho-position.

General Description

2-Chlorobenzoyl chloride reacts with aromatic amines and ammonium thiocyanate using polyethylene glycol-400 as the catalyst under the condition of solid-liquid phase-transfer catalysis to form N-aryl-N′(2-chlorobenzoyl) thioureas. 2-Chlorobenzoyl chloride causes the acylation of polystyrene during the preparation and regeneration of the polystyrene-based resin.

Check Digit Verification of cas no

The CAS Registry Mumber 609-65-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,0 and 9 respectively; the second part has 2 digits, 6 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 609-65:
(5*6)+(4*0)+(3*9)+(2*6)+(1*5)=74
74 % 10 = 4
So 609-65-4 is a valid CAS Registry Number.
InChI:InChI=1/C7H4Cl2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H

609-65-4 Well-known Company Product Price

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

  • (A14785)  2-Chlorobenzoyl chloride, 97%   

  • 609-65-4

  • 100g

  • 364.0CNY

  • Detail
  • Alfa Aesar

  • (A14785)  2-Chlorobenzoyl chloride, 97%   

  • 609-65-4

  • 250g

  • 765.0CNY

  • Detail
  • Alfa Aesar

  • (A14785)  2-Chlorobenzoyl chloride, 97%   

  • 609-65-4

  • 1000g

  • 2451.0CNY

  • Detail
  • Aldrich

  • (103918)  2-Chlorobenzoylchloride  95%

  • 609-65-4

  • 103918-5G

  • 390.78CNY

  • Detail
  • Aldrich

  • (103918)  2-Chlorobenzoylchloride  95%

  • 609-65-4

  • 103918-100G

  • 452.79CNY

  • Detail
  • Aldrich

  • (103918)  2-Chlorobenzoylchloride  95%

  • 609-65-4

  • 103918-500G

  • 1,198.08CNY

  • Detail

609-65-4SDS

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 2-chlorobenzoyl chloride

1.2 Other means of identification

Product number -
Other names o-Chlorobenzoylchlor

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:609-65-4 SDS

609-65-4Synthetic route

ortho-chlorobenzoic acid
118-91-2

ortho-chlorobenzoic acid

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

Conditions
ConditionsYield
With thionyl chloride In toluene at 75℃;100%
With thionyl chloride Reflux;100%
With thionyl chloride at 100℃;100%
carbon monoxide
201230-82-2

carbon monoxide

2-iodochlorobenzene
615-41-8

2-iodochlorobenzene

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

Conditions
ConditionsYield
With bis(tri-t-butylphosphine)palladium(0); benzyltriphenylphosphonium chloride In toluene at 110℃; under 38002.6 Torr; for 24h; Glovebox; Autoclave; Inert atmosphere;93%
1-benzyl-4-amino-1H-imidazole-5-carboxamide
115377-62-3

1-benzyl-4-amino-1H-imidazole-5-carboxamide

A

4-(2-chlorobenzoylamino)-1-benzyl-5-imidazolecarboxamide
219935-35-0

4-(2-chlorobenzoylamino)-1-benzyl-5-imidazolecarboxamide

B

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

Conditions
ConditionsYield
A 92%
B n/a
2-chloro-benzaldehyde
89-98-5

2-chloro-benzaldehyde

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

Conditions
ConditionsYield
With iron(III) chloride; Benzotrichlorid In benzene at 60℃; Rate constant; Mechanism; Thermodynamic data; various concentration ratios;
With chlorine at 140 - 160℃;
With phosphorus pentachloride; chlorine
benzoyl chloride
98-88-4

benzoyl chloride

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

Conditions
ConditionsYield
With chlorine; iron(III) chloride at 35℃;
2-chlorobenzoylhydrazide
5814-05-1

2-chlorobenzoylhydrazide

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

Conditions
ConditionsYield
With hydrogenchloride; nitromethane; chlorine
Toluene-2-sulfonyl chloride
133-59-5

Toluene-2-sulfonyl chloride

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

Conditions
ConditionsYield
With thionyl chloride at 240℃;
1,2-dichlorotetramethylsilane
4342-61-4

1,2-dichlorotetramethylsilane

Phthaloyl dichloride
88-95-9

Phthaloyl dichloride

A

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

B

2-chlorodimethylsilylbenzoylchloride
119288-75-4

2-chlorodimethylsilylbenzoylchloride

Conditions
ConditionsYield
bis(benzonitrile)palladium(II) dichloride; triphenylphosphine at 145℃; for 15h; Title compound not separated from byproducts;A 18 % Chromat.
B 19 % Chromat.
2-chloro-trichloromethyl-benzene

2-chloro-trichloromethyl-benzene

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

Conditions
ConditionsYield
With steam; iron(III) chloride at 100 - 120℃;
2-chloro-benzaldehyde
89-98-5

2-chloro-benzaldehyde

chlorine
7782-50-5

chlorine

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

Conditions
ConditionsYield
at 140 - 160℃;
thionyl chloride
7719-09-7

thionyl chloride

ortho-chlorobenzoic acid
118-91-2

ortho-chlorobenzoic acid

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

dichloride of/the/ benzoic acid sulfonic acid-(2)

dichloride of/the/ benzoic acid sulfonic acid-(2)

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

Conditions
ConditionsYield
durch Destillation;
salicylic acid
69-72-7

salicylic acid

A

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

B

salicylic acid chloride ; 2-chloro-trichloromethyl-benzene

salicylic acid chloride ; 2-chloro-trichloromethyl-benzene

Conditions
ConditionsYield
With phosphorus pentachloride
2-methylchlorobenzene
95-49-8

2-methylchlorobenzene

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: permanganate
2: PCl5
View Scheme
oxalyl dichloride
79-37-8

oxalyl dichloride

ortho-chlorobenzoic acid
118-91-2

ortho-chlorobenzoic acid

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

Conditions
ConditionsYield
N,N-dimethyl-formamide In 1,1-dichloroethane at 20℃; for 0.5h;
4-chlorobenzylamine
104-86-9

4-chlorobenzylamine

ortho-chlorobenzoic acid
118-91-2

ortho-chlorobenzoic acid

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20 - 25℃; for 4h;
o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

1-(2-chlorophenyl)-2-diazoethan-1-one
50878-84-7

1-(2-chlorophenyl)-2-diazoethan-1-one

Conditions
ConditionsYield
In diethyl ether for 2h; Ambient temperature;100%
With diethyl ether
In diethyl ether at 0℃; Substitution;
o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

benzene
71-43-2

benzene

(2-chlorophenyl)(phenyl)methanone
5162-03-8

(2-chlorophenyl)(phenyl)methanone

Conditions
ConditionsYield
With aluminium trichloride for 19.5h; Heating;100%
Friedel-Crafts reaction;90%
iron(III) chloride at 109℃; for 0.458333h; Product distribution / selectivity; Irradiation;83%
1,3-Benzothiazole
95-16-9

1,3-Benzothiazole

trimethylsilyl cyanide
7677-24-9

trimethylsilyl cyanide

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

2-Cyano-3-(o-chlorobenzoyl)-2,3-dihydrobenzothiazole

2-Cyano-3-(o-chlorobenzoyl)-2,3-dihydrobenzothiazole

Conditions
ConditionsYield
With aluminium trichloride In dichloromethane100%
2-(N,N-dimethylamino)ethanol
108-01-0

2-(N,N-dimethylamino)ethanol

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

2-Chloro-benzoic acid 2-dimethylamino-ethyl ester; hydrochloride
6183-25-1

2-Chloro-benzoic acid 2-dimethylamino-ethyl ester; hydrochloride

Conditions
ConditionsYield
In benzene for 0.5h;100%
3-Dimethylamino-1-propanol
3179-63-3

3-Dimethylamino-1-propanol

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

2-Chloro-benzoic acid 3-dimethylamino-propyl ester; hydrochloride
87686-58-6

2-Chloro-benzoic acid 3-dimethylamino-propyl ester; hydrochloride

Conditions
ConditionsYield
In benzene for 0.5h;100%
ammonium thiocyanate
1147550-11-5

ammonium thiocyanate

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

2-chlorobenzoyl isothiocyanate
5067-90-3

2-chlorobenzoyl isothiocyanate

Conditions
ConditionsYield
With PEG-400 In ethyl acetate at 20℃;100%
In acetone for 1h; Heating;
With polyethylene glycol-400 In dichloromethane for 1h; Ambient temperature;
o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

1-(2-chlorobenzoyl)-2-methylaziridine
21384-45-2

1-(2-chlorobenzoyl)-2-methylaziridine

Conditions
ConditionsYield
With sodium hydroxide In diethyl ether at 0℃;100%
With sodium hydroxide In diethyl ether; water at 0℃; Schotten-Baumann reaction;
6-chloro-N4-(4-chlorophenyl)-4,5-pyrimidinediamine
103505-49-3

6-chloro-N4-(4-chlorophenyl)-4,5-pyrimidinediamine

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

2-chloro-N-[4-chloro-6-(4-chlorophenylamino)pyrimidin-5-yl]benzamide
686344-48-9

2-chloro-N-[4-chloro-6-(4-chlorophenylamino)pyrimidin-5-yl]benzamide

Conditions
ConditionsYield
In N,N-dimethyl acetamide at 0 - 20℃;100%
In N,N-dimethyl acetamide at 5 - 20℃; for 4h;82%
In N,N-dimethyl acetamide at 5 - 20℃;82%
In ISOPROPYLAMIDE at 5 - 20℃; for 4h;82%
In ISOPROPYLAMIDE at 5 - 20℃; for 4.01667h;82%
3-aminobenzoic acid ethyl ester
582-33-2

3-aminobenzoic acid ethyl ester

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

3-(2-chloro-benzoylamino)-benzoic acid ethyl ester
300827-69-4

3-(2-chloro-benzoylamino)-benzoic acid ethyl ester

Conditions
ConditionsYield
With triethylamine In chloroform100%
With pyridine In tetrahydrofuran at 0℃; for 1h;
2-aminothiazole-4-carboxylate
5398-36-7

2-aminothiazole-4-carboxylate

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

ethyl 2-(2-chlorobenzoyl)amino-1,3-thiazole-4-carboxylate
324538-40-1

ethyl 2-(2-chlorobenzoyl)amino-1,3-thiazole-4-carboxylate

Conditions
ConditionsYield
Stage #1: 2-aminothiazole-4-carboxylate With dmap In dichloromethane for 0.166667h;
Stage #2: o-chlorobenzoyl chloride In dichloromethane at 50℃; for 12h;
100%
With pyridine In tetrahydrofuran at 0 - 20℃; for 1h;
o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

ammonium thiocyanate

ammonium thiocyanate

2-chlorobenzoyl isothiocyanate
5067-90-3

2-chlorobenzoyl isothiocyanate

Conditions
ConditionsYield
With PEG-400 In ethyl acetate at 20℃;100%
In benzene for 2h; Reflux;
3-methylbenzyl alcohol
587-03-1

3-methylbenzyl alcohol

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

3-methylbenzyl 2'-chlorolbenzoate
1070881-30-9

3-methylbenzyl 2'-chlorolbenzoate

Conditions
ConditionsYield
With pyridine at 0℃; for 1.5h;100%
methyl 4-amino-3-(methoxymethoxy)benzoate

methyl 4-amino-3-(methoxymethoxy)benzoate

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

methyl 4-(2-chlorobenzamido)-3-(methoxymethoxy)benzoate

methyl 4-(2-chlorobenzamido)-3-(methoxymethoxy)benzoate

Conditions
ConditionsYield
With pyridine at 10 - 35℃;100%
o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

ethyl 2-aminooxazole-4-carboxylate
177760-52-0

ethyl 2-aminooxazole-4-carboxylate

C13H11ClN2O4

C13H11ClN2O4

Conditions
ConditionsYield
Stage #1: ethyl 2-aminooxazole-4-carboxylate With dmap In dichloromethane for 0.166667h;
Stage #2: o-chlorobenzoyl chloride In dichloromethane at 50℃; for 12h;
100%
o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

aniline
62-53-3

aniline

2-chlorobenzanilide
6833-13-2

2-chlorobenzanilide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0 - 20℃;99%
With pyridine; dmap at 0 - 20℃;97%
With triethylamine In ethyl acetate at 20℃; for 8.66667h;94%
o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

3-chloro-p-toluidine
95-74-9

3-chloro-p-toluidine

2-chloro-N-(3-chloro-4-methylphenyl)benzamide
7017-26-7

2-chloro-N-(3-chloro-4-methylphenyl)benzamide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0 - 20℃;99%
With ammonia; N,N-dimethyl-aniline In benzene
o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

4-chloro-aniline
106-47-8

4-chloro-aniline

2-chloro-N-(4-chlorophenyl)benzamide
319-39-1

2-chloro-N-(4-chlorophenyl)benzamide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0 - 20℃;99%
o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

4-hydroxy-2-phenyl-6H-1,3-thiazin-6-one sodium salt
73672-75-0

4-hydroxy-2-phenyl-6H-1,3-thiazin-6-one sodium salt

2-Chloro-benzoic acid 6-oxo-2-phenyl-6H-[1,3]thiazin-4-yl ester
73672-81-8

2-Chloro-benzoic acid 6-oxo-2-phenyl-6H-[1,3]thiazin-4-yl ester

Conditions
ConditionsYield
In benzene for 5h; Heating;99%
o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

4-fluoroaniline
371-40-4

4-fluoroaniline

2-chloro-N-(4-fluorophenyl)benzamide
153386-06-2

2-chloro-N-(4-fluorophenyl)benzamide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0 - 20℃;99%
With pyridine at 0℃; for 12h;
With dmap In dichloromethane at 20℃; for 12h; Inert atmosphere;
cyclohexylmagnesiumchloride
931-51-1

cyclohexylmagnesiumchloride

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

cyclohexyl-(2-cyclohexyl-phenyl)-methanone

cyclohexyl-(2-cyclohexyl-phenyl)-methanone

Conditions
ConditionsYield
Stage #1: cyclohexylmagnesiumchloride With lithium chloride; manganese(ll) chloride In tetrahydrofuran at -30℃;
Stage #2: o-chlorobenzoyl chloride In tetrahydrofuran at -30 - 0℃;
99%
phenylmagnesium chloride
100-59-4

phenylmagnesium chloride

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

2-phenylbenzophenone
1985-32-6

2-phenylbenzophenone

Conditions
ConditionsYield
Stage #1: phenylmagnesium chloride With lithium chloride; manganese(ll) chloride In tetrahydrofuran at -30℃;
Stage #2: o-chlorobenzoyl chloride In tetrahydrofuran at -30 - 0℃;
99%
butyl magnesium bromide
693-04-9

butyl magnesium bromide

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

1-(2-butyl-phenyl)-pentan-1-one
103562-92-1

1-(2-butyl-phenyl)-pentan-1-one

Conditions
ConditionsYield
Stage #1: butyl magnesium bromide With lithium chloride; manganese(ll) chloride In tetrahydrofuran at -30℃;
Stage #2: o-chlorobenzoyl chloride In tetrahydrofuran at -30℃; for 0.333333h;
99%
2-nitro-1,4-phenylenediamine
5307-14-2

2-nitro-1,4-phenylenediamine

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

N-(4-amino-3-nitro-phenyl)-2-chloro-benzamide
911211-57-9

N-(4-amino-3-nitro-phenyl)-2-chloro-benzamide

Conditions
ConditionsYield
In dichloromethane at 20℃;99%
2,6-dihydroxylacetophenone
699-83-2

2,6-dihydroxylacetophenone

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

2',6'-bis(2-chlorobenzoyloxy)acetophenone
920006-37-7

2',6'-bis(2-chlorobenzoyloxy)acetophenone

Conditions
ConditionsYield
With pyridine; dmap at 20℃; for 2h;99%
5-methyl-2-hydroxyacetophenone
1450-72-2

5-methyl-2-hydroxyacetophenone

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

2-acetyl-4-methylphenyl 2-Chlorobenzoate
106551-35-3

2-acetyl-4-methylphenyl 2-Chlorobenzoate

Conditions
ConditionsYield
With pyridine at 70℃;99%
In pyridine at 20℃; for 2h; Inert atmosphere;93%
methyl 3-aminosalicylate
35748-34-6

methyl 3-aminosalicylate

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

C15H12ClNO4
533898-14-5

C15H12ClNO4

Conditions
ConditionsYield
With pyridine In dichloromethane at 20℃; for 24h;99%
diphenyl diselenide
1666-13-3

diphenyl diselenide

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

2-chlorobenzenecarboselenoic acid Se-phenyl ester
62247-17-0

2-chlorobenzenecarboselenoic acid Se-phenyl ester

Conditions
ConditionsYield
Stage #1: diphenyl diselenide With hydrogenchloride; zinc In water; acetone at 20℃; Schlenk technique; Inert atmosphere; Green chemistry;
Stage #2: o-chlorobenzoyl chloride In water; acetone at 20℃; for 0.5h; Schlenk technique; Inert atmosphere; Green chemistry;
99%
With hydrogenchloride; zinc In water at 20℃; for 0.05h; Ionic liquid; Inert atmosphere;94%
With magnesium; iron(II) chloride In 1,4-dioxane at 100℃; for 12h; Air;91%
o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

L-serine benzyl ester hydrochloride
60022-62-0

L-serine benzyl ester hydrochloride

(S)-benzyl 2-(2-chlorobenzamido)-3-hydroxypropanoate
1227492-08-1

(S)-benzyl 2-(2-chlorobenzamido)-3-hydroxypropanoate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 50℃;99%
o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

2-bromoaniline
615-36-1

2-bromoaniline

2-chlorobenzoic acid 2-bromoanilide
299954-54-4

2-chlorobenzoic acid 2-bromoanilide

Conditions
ConditionsYield
With triethylamine In diethyl ether at 0 - 20℃; Inert atmosphere;99%

609-65-4Relevant articles and documents

Mononuclear copper(i) complexes of triphenylphosphine and: N, N ′-disubstituted thioureas as potential DNA binding chemotherapeutics

Khan, Syed Ishtiaq,Ahmad, Sajjad,Khan, Inayat Ali,Badshah, Amin,Rauf, Muhammad Khawar,Putejo, Jahangir Ali,Siddiq, Muhammad Nasir,Kausar, Samia,Altaf, Ataf Ali

, p. 8925 - 8935 (2021/06/01)

In this work, nine new mixed-ligand complexes with the general formula [CuBr(TPP)2Tu1-9] were synthesized. The copper(i) complexes of triphenylphosphine (TPP) and different N,N′-disubstituted thioureas (Tu) were characterized via spectroscopic techniques including Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance spectroscopy (1H, 13C, and 31P NMR), and single-crystal X-ray diffraction (SC-XRD). The complexes were synthesized via the direct reaction of bromo(tris(triphenylphosphine)copper(i)) [BrCu(PPh3)3] precursor and thiourea ligand solution under ambient conditions. Complexes 1, 2 and 3 crystallized in a triclinic system with the P1 space group. Each complex is mononuclear, and the copper atom is tetrahedrally attached to two TPP groups through the phosphorous atom, one thiourea molecule through the sulfur atom and one bromine atom. The synthesized compounds were docked with a DNA macromolecule to predict their binding site and it was found that all molecules showed favorable binding to the DNA minor grooves. The DNA interaction studies of the representative complexes demonstrated their efficient DNA binding affinities. Based on the docking and DNA interaction results, complex 7 was found to be the best binder with a docking affinity of 382.2 kJ mol-1 and binding constant of 3.96 × 104 M-1. This compound tends to interact with the minor groove through the bromine atom positioning the side triphenylphosphine rings along the X-axis of the groove while keeping the 1-(2-chlorobenzyl)-3-(3-(trifluoromethyl)phenyl)thiourea ring on the outside.

Design and synthesis of arylamidine derivatives as serotonin/norepinephrine dual reuptake inhibitors

Wen, Hui,Qin, Wen,Yang, Guangzhong,Guo, Yanshen

, (2019/02/03)

To improve the in vivo antidepressant activity of previously reported serotonin (5-HT) and norepinephrine (NE) dual reuptake inhibitors, three series of arylamidine derivatives were designed and synthesized. The in vitro 5-HT and NE reuptake inhibitory activities of these compounds were evaluated, and compound II-5 was identified as the most potent 5-HT (IC50 = 620 nM) and NE (IC50 = 10 nM) dual reuptake inhibitor. Compound II-5 exhibited potent antidepressant activity in the rat tail suspension test and showed an acceptable safety profile in a preliminary acute toxicity test in mice. Our results show that these arylamidine derivatives exhibit potent 5-HT/NE dual reuptake inhibition and should be explored further as antidepressant drug candidates.

Selective mono-alkylation of N-methoxybenzamides

Chen, Zenghua,Hu, Le'an,Zeng, Fanyun,Zhu, Ranran,Zheng, Shasha,Yu, Qingzhen,Huang, Jianhui

supporting information, p. 4258 - 4261 (2017/04/21)

We report our latest discovery of norbornene derivative modulated highly mono-selective ortho-C-H activation alkylation reactions on arenes bearing simple mono-dentate coordinating groups. The reaction features the use of readily available benzamides and alkyl halides. During the study, we prepared 30 mono-alkylated aryl amides in good yields with good mono-selectivity. We have also demonstrated that structurally rigid alkenes such as norbornene and its derivatives are a good class of ligand and could be used for future direct C-H functionalizations. The utilization of norbornene type ligands for assistance in C-H activation processes has opened a new window for future molecular design using direct C-H functionalization strategies.

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