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121-17-5 Usage

Uses

4-Chloro-3-nitrobenzotrifluoride is used?as a chemical intermediate for herbicides.

Chemical Properties

CLEAR YELLOW LIQUID

General Description

4-Chloro-3-nitrobenzotrifluoride is a colorless to dark-colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Organonitrate compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

Health Hazard

Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. 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. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.

Safety Profile

Poison by ingestion and intravenous routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of F-, Cl-, and NOx. See also CHLORINATED HYDROCARBONS, AROMATIC; and NITRO COMPOUNDS OF AROMATIC HYDROCARBONS.

Check Digit Verification of cas no

The CAS Registry Mumber 121-17-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,2 and 1 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 121-17:
(5*1)+(4*2)+(3*1)+(2*1)+(1*7)=25
25 % 10 = 5
So 121-17-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H6F4N2O/c12-10(13)11(14,15)6-18-9-2-1-7(4-16)8(3-9)5-17/h1-3,10H,6H2

121-17-5 Well-known Company Product Price

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  • Detail
  • Alfa Aesar

  • (A11488)  4-Chloro-3-nitrobenzotrifluoride, 98%   

  • 121-17-5

  • 100g

  • 284.0CNY

  • Detail
  • Alfa Aesar

  • (A11488)  4-Chloro-3-nitrobenzotrifluoride, 98%   

  • 121-17-5

  • 500g

  • 978.0CNY

  • Detail
  • Alfa Aesar

  • (A11488)  4-Chloro-3-nitrobenzotrifluoride, 98%   

  • 121-17-5

  • 2500g

  • 4060.0CNY

  • Detail
  • Aldrich

  • (C60600)  4-Chloro-3-nitrobenzotrifluoride  97%

  • 121-17-5

  • C60600-100G

  • 761.67CNY

  • Detail

121-17-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Chloro-3-nitrobenzotrifluoride

1.2 Other means of identification

Product number -
Other names 4-chloro-3-nitro-benzotrifluorid

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:121-17-5 SDS

121-17-5Synthetic route

4-chlorobenzotrifluoride
98-56-6

4-chlorobenzotrifluoride

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

Conditions
ConditionsYield
With ammonium nitrate; 3-(N,N-dimethyldodecylammonium)propanesulfonic acid hydrogen sulphate at 70℃; for 9h; Temperature;85%
With sulfuric acid; nitric acid73.2%
With sulfuric acid; nitric acid
4-Chloro-3-nitroaniline
635-22-3

4-Chloro-3-nitroaniline

trifluoromethylsilver

trifluoromethylsilver

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

Conditions
ConditionsYield
Stage #1: 4-Chloro-3-nitroaniline With hydrogenchloride In water at 0℃; for 0.0833333h; Inert atmosphere; Schlenk technique;
Stage #2: With tert.-butylnitrite at 0℃; for 0.25h; Inert atmosphere; Schlenk technique;
Stage #3: trifluoromethylsilver at -78 - 20℃; for 4h; Inert atmosphere; Schlenk technique;
81%
Stage #1: 4-Chloro-3-nitroaniline With hydrogenchloride In water at 0℃; for 0.0833333h; Sandmeyer Reaction; Schlenk technique;
Stage #2: With tert.-butylnitrite In water at -196 - 20℃; Sandmeyer Reaction; Schlenk technique; Inert atmosphere;
Stage #3: trifluoromethylsilver In water at -78 - 20℃; for 5h; Sandmeyer Reaction; Schlenk technique; Inert atmosphere;
81%
2-nitro-4-trifluoromethylbenzoic acid
320-94-5

2-nitro-4-trifluoromethylbenzoic acid

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

Conditions
ConditionsYield
With copper(l) iodide; oxygen; copper(l) chloride In dimethyl sulfoxide at 160℃; under 760.051 Torr; for 30h; Schlenk technique; Sealed tube;44%
With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper (I) acetate; silver sulfate; sodium chloride In dimethyl sulfoxide at 160℃; for 24h; Schlenk technique;20%
With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper diacetate; silver sulfate; sodium chloride In dimethyl sulfoxide at 160℃; under 760.051 Torr; for 20h; Schlenk technique;16%
4-chlorotrichloromethylbenzene
5216-25-1

4-chlorotrichloromethylbenzene

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogen fluoride / 110 °C / 7355.08 - 10297.1 Torr
2: Nitrierung
View Scheme
piperazine
110-85-0

piperazine

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

1,4-Bis(1'-nitro-3'-(trifluoromethyl)-6'-phenyl)piperazine
137918-81-1

1,4-Bis(1'-nitro-3'-(trifluoromethyl)-6'-phenyl)piperazine

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 100℃; under 6000480 Torr; for 120h;100%
piperidine
110-89-4

piperidine

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

1-(2-nitro-4-(trifluoromethyl)phenyl)piperidine
1692-79-1

1-(2-nitro-4-(trifluoromethyl)phenyl)piperidine

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 0℃; for 0.666667h; Product distribution / selectivity;100%
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In various solvent(s) at 26.84℃; Kinetics; Further Variations:; Reagents;
In acetonitrile at 25℃; Kinetics; Further Variations:; amine concentration;
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

Conditions
ConditionsYield
With potassium cyanocarbonimidodithioate In N,N-dimethyl-formamide at 80 - 90℃; for 24h;99%
With selenium; sodium thiosulfate In dimethyl sulfoxide50%
With sodium disulfide In ethanol
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

N-<2-chloro-5-(trifluoromethyl)phenyl>hydroxylamine
51571-00-7

N-<2-chloro-5-(trifluoromethyl)phenyl>hydroxylamine

Conditions
ConditionsYield
With 5% rhodium-on-charcoal; hydrazine hydrate In tetrahydrofuran at 0℃; for 1.5h; Inert atmosphere;99%
With 5% rhodium-on-charcoal; hydrazine hydrate In tetrahydrofuran at 0℃; Inert atmosphere;99%
With ammonium chloride; zinc In ethanol; water for 0.5h; Heating;90%
With sodium hypophosphite; palladium on activated charcoal In tetrahydrofuran
With 5% rhodium-on-charcoal; hydrazine hydrate In tetrahydrofuran at 0 - 20℃; Inert atmosphere;
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

phenylboronic acid
98-80-6

phenylboronic acid

2-nitro-4-(trifluoromethyl)-1,1'-biphenyl
2613-38-9

2-nitro-4-(trifluoromethyl)-1,1'-biphenyl

Conditions
ConditionsYield
With bis(η3-allyl-μ-chloropalladium(II)); N,N,N',N'-tetra(diphenylphosphinomethyl)benzene-1,3-diamine; potassium carbonate In N,N-dimethyl acetamide at 130℃; for 20h; Time; Concentration; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique;99%
With potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); Tedicyp In xylene at 130℃; for 20h; Suzuki reaction;95%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In water; toluene for 4h; Suzuki-Miyaura cross coupling; Heating;91%
With potassium phosphate; tetraphosphine N,N,N′,N′-tetra(diphenylphosphinomethyl)-pyridine-2,6-diamine; palladium dichloride In toluene at 120℃; for 72h; Reagent/catalyst; Solvent; Temperature; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique;91%
isobutylamine
78-81-9

isobutylamine

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

N-isobutyl-2-nitro-4-(trifluoromethyl)aniline
891849-41-5

N-isobutyl-2-nitro-4-(trifluoromethyl)aniline

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran for 20h; Heating;99%
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

1-bromo-2-chloro-3-nitro-5-(trifluoromethyl)benzene

1-bromo-2-chloro-3-nitro-5-(trifluoromethyl)benzene

Conditions
ConditionsYield
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; sulfuric acid at 15℃; for 18h;99%
ethanolamine
141-43-5

ethanolamine

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

2-((2-nitro-4-(trifluoromethyl)phenyl)amino)ethanol
10442-83-8

2-((2-nitro-4-(trifluoromethyl)phenyl)amino)ethanol

Conditions
ConditionsYield
With potassium carbonate In ethanol for 5h; Reflux;98%
With potassium carbonate In butan-1-ol for 4.5h; Reflux;97%
Heating;95%
dibromodifluoromethane
75-61-6

dibromodifluoromethane

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

1,4-Bis(trifluoromethyl)-2-nitro-benzene
320-88-7

1,4-Bis(trifluoromethyl)-2-nitro-benzene

Conditions
ConditionsYield
With copper In N,N-dimethyl acetamide at 100℃; for 4h; Product distribution; with or without charcoal;98%
With copper; pyrographite In N,N-dimethyl acetamide at 100℃; for 2h;98 % Turnov.
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

N-butylamine
109-73-9

N-butylamine

N-butyl-2-nitro-4-(trifluoromethyl)aniline
182565-78-2

N-butyl-2-nitro-4-(trifluoromethyl)aniline

Conditions
ConditionsYield
With potassium carbonate In butan-1-ol at 145℃; for 15h;98%
In N,N-dimethyl-formamide at 80℃; for 4h;90.5%
With sodium hydroxide; tetrabutylammomium bromide In water; benzene at 31℃; Product distribution; Rate constant; various amines under different reaction conditions;
for 3.5h; Heating;
In acetonitrile at 25℃; Kinetics; Further Variations:; amine concentration;
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

phenol
108-95-2

phenol

2-nitro-1-phenoxy-4-(trifluoromethyl)benzene
1960-59-4

2-nitro-1-phenoxy-4-(trifluoromethyl)benzene

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; Inert atmosphere;98%
With 18-crown-6 ether; Methyl trichloroacetate; potassium carbonate at 150℃; for 2h;72%
With potassium hydroxide In ethanol at 45℃; for 2h;
pyridine
110-86-1

pyridine

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

1-[2-nitro-4-(trifluoromethyl)phenyl]pyridinium chloride

1-[2-nitro-4-(trifluoromethyl)phenyl]pyridinium chloride

Conditions
ConditionsYield
at 90℃; for 1h;98%
at 90℃;
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

diethyl malonate
105-53-3

diethyl malonate

diethyl 2-(2-nitro-4-(trifluoromethyl)phenyl)malonate
13088-15-8

diethyl 2-(2-nitro-4-(trifluoromethyl)phenyl)malonate

Conditions
ConditionsYield
With potassium carbonate; sodium hydroxide In N,N-dimethyl-formamide at 45℃; for 1h;98%
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

cyanoacetic acid amide
107-91-5

cyanoacetic acid amide

2-cyano-2-(2-nitro-4-(trifluoromethyl)phenyl)acetamide

2-cyano-2-(2-nitro-4-(trifluoromethyl)phenyl)acetamide

Conditions
ConditionsYield
With potassium hydroxide In N,N-dimethyl-formamide at 30℃; for 1h;98%
nitromethane
75-52-5

nitromethane

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

2-nitro-1-(nitromethyl)-4-(trifluoromethyl)benzene

2-nitro-1-(nitromethyl)-4-(trifluoromethyl)benzene

Conditions
ConditionsYield
Stage #1: nitromethane With sodium hydroxide In 1-methyl-pyrrolidin-2-one at 5℃; for 0.5h;
Stage #2: 2-chloro-3-nitro-5-trifluoromethylbenzene In 1-methyl-pyrrolidin-2-one at 5℃; for 2h;
98%
2-hydroxybromobenzene
95-56-7

2-hydroxybromobenzene

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

1-(2-bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene
2069-14-9

1-(2-bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide at 100℃; Inert atmosphere;97%
With sodium methylate In ethanol at 195℃;
With potassium hydroxide
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

ethyl 2-cyanoacetate
105-56-6

ethyl 2-cyanoacetate

Ethyl 2-cyano-2-(2-nitro-4-(trifluoromethyl)phenyl)acetate
13544-04-2

Ethyl 2-cyano-2-(2-nitro-4-(trifluoromethyl)phenyl)acetate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 1h;97%
With N,N,N',N'-tetramethylguanidine In dichloromethane at 50℃; under 3878.71 Torr; Reagent/catalyst; Solvent; Temperature; Flow reactor;96%
With potassium carbonate In N,N-dimethyl-formamide at 100℃;74%
With potassium carbonate In N,N-dimethyl-formamide
With sodium ethanolate 1.) EtOH, 2.) EtOH, reflux, 8 h; Multistep reaction;
dibromodifluoromethane
75-61-6

dibromodifluoromethane

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

A

1,4-Bis(trifluoromethyl)-2-nitro-benzene
320-88-7

1,4-Bis(trifluoromethyl)-2-nitro-benzene

B

4-Pentafluoroethyl-3-nitro-benzotrifluoride
133391-56-7

4-Pentafluoroethyl-3-nitro-benzotrifluoride

Conditions
ConditionsYield
With ISOPROPYLAMIDE; copper at 100℃; for 8h;A 97%
B 3%
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

(1H-indol-2-yl)(piperazin-1-yl)methanone

(1H-indol-2-yl)(piperazin-1-yl)methanone

1-(indolyl-2-carbonyl)-4-<2-nitro-4-(trifluoromethyl)phenyl>piperazine
153473-69-9

1-(indolyl-2-carbonyl)-4-<2-nitro-4-(trifluoromethyl)phenyl>piperazine

Conditions
ConditionsYield
With potassium carbonate In acetonitrile for 4h; Ambient temperature;97%
thiophenol
108-98-5

thiophenol

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

(2-nitro-4-(trifluoromethyl)phenyl)phenylthioether
346-44-1

(2-nitro-4-(trifluoromethyl)phenyl)phenylthioether

Conditions
ConditionsYield
With ethylenediamine; copper(l) chloride In water at 120℃; for 36h; Inert atmosphere;97%
With sodium In methanol at 20℃;85%
With sodium hydroxide In ethanol; water
With potassium hydroxide; copper In ethanol; water
benzyl 2-cyanoacetate
14447-18-8

benzyl 2-cyanoacetate

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

benzyl 2-cyano-2-(2-nitro-4-trifluoromethylphenyl)ethanoate

benzyl 2-cyano-2-(2-nitro-4-trifluoromethylphenyl)ethanoate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 24h;97%
copper(I) cyanide
544-92-3

copper(I) cyanide

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

2-nitro-4-trifluoromethyl-benzonitrile
778-94-9

2-nitro-4-trifluoromethyl-benzonitrile

Conditions
ConditionsYield
lithium bromide In tetrahydrofuran at 130℃; for 6h; Product distribution / selectivity;97%
In acetonitrile at 110℃; for 6h; Product distribution / selectivity;93%
lithium bromide In acetonitrile at 110℃; for 6h; Product distribution / selectivity;91%
decylthiol
143-10-2

decylthiol

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

4-decylthio-3-nitrobenzotrifluoride
119116-02-8

4-decylthio-3-nitrobenzotrifluoride

Conditions
ConditionsYield
With sodium methylate In methanol96.9%
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

6-trifluoromethyl-1-hydroxybenzotriazole
26198-21-0

6-trifluoromethyl-1-hydroxybenzotriazole

Conditions
ConditionsYield
With hydrazine hydrate In ethanol for 24h; Heating;96%
With hydrazine hydrate In ethanol; sodium carbonate
With hydrazine hydrate In ethanol for 24h; Reflux;
With hydrazine hydrate In ethanol for 24h; Reflux;
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

2,5-dimethoxyaniline
102-56-7

2,5-dimethoxyaniline

2,5-Dimethoxy-2'-nitro-4'-trifluoromethyldiphenylamine
146828-21-9

2,5-Dimethoxy-2'-nitro-4'-trifluoromethyldiphenylamine

Conditions
ConditionsYield
With 1-methyl-pyrrolidin-2-one; potassium carbonate at 140℃;96%
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

phenylacetylene
536-74-3

phenylacetylene

2-nitro-1-(phenylethynyl)-4-(trifluoromethyl)benzene

2-nitro-1-(phenylethynyl)-4-(trifluoromethyl)benzene

Conditions
ConditionsYield
With potassium phosphate; bis(η3-allyl-μ-chloropalladium(II)); tetraphosphine N,N,N′,N′-tetra(diphenylphosphinomethyl)-pyridine-2,6-diamine In N,N-dimethyl acetamide; water at 100℃; for 20h; Catalytic behavior; Time; Sonogashira Cross-Coupling; Schlenk technique; Inert atmosphere;96%
With potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); (1RS,2RS,3SR,4SR)-1,2,3,4-tetrakis((diphenylphosphanyl)methyl)cyclopentane In N,N-dimethyl-formamide at 100℃; for 20h; Sonogashira cross-coupling;91%
2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

5-trifluoromethylbenzofuroxan
41153-85-9

5-trifluoromethylbenzofuroxan

Conditions
ConditionsYield
With sodium azide; N-ethyl-N-methylpyrrolidinium tetrafluoroborate; tetrabutylammomium bromide In water at 60℃; for 4h;96%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole
131182-89-3

1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole

Conditions
ConditionsYield
With copper(l) iodide; N-[phenyl(acetylamino)methyl]acetamide; sodium methylate In dimethyl sulfoxide at 130℃; for 12h;95%
With copper 2-phenylcyclopropanecarboxylate; cetyltrimethylammonim bromide; potassium carbonate In xylene for 8h; Arylation; Heating;89%
With copper(l) iodide; (E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one; caesium carbonate In acetonitrile at 82℃; for 12h; Ullmann type coupling; Inert atmosphere;89%
With triethylamine In N,N-dimethyl-formamide at 100℃; for 17h;87%
2-Mercaptobenzothiazole
149-30-4

2-Mercaptobenzothiazole

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

2-((2-nitro-4-(trifluoromethyl)phenyl)thio)benzo[d]thiazole
131182-91-7

2-((2-nitro-4-(trifluoromethyl)phenyl)thio)benzo[d]thiazole

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 70℃; for 1.5h;95%
L-valine methyl ester
4070-48-8

L-valine methyl ester

2-chloro-3-nitro-5-trifluoromethylbenzene
121-17-5

2-chloro-3-nitro-5-trifluoromethylbenzene

N-(2-nitro-4-trifluoromethylphenyl)valine methyl ester

N-(2-nitro-4-trifluoromethylphenyl)valine methyl ester

Conditions
ConditionsYield
at 20℃; for 3h; Irradiation;95%

121-17-5Relevant articles and documents

-

Ekonomov,A.L. et al.

, (1977)

-

Self-powered continuous nitration method and device

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Paragraph 0053-0056, (2021/07/17)

The invention belongs to the technical field of organic synthesis application, and particularly relates to a self-powered continuous nitration method and device. According to the method, a raw material (or a raw material solution) and mixed acid (or nitric acid) are added into a self-powered continuous reactor at the same time, reaction feed liquid continuously and circularly flows, is mixed and reacts in a tube pass through self-propelling force generated by stirring of an impeller, the mass and heat transfer process is completed, and the target requirement is met. According to the invention, the mass transfer and heat transfer efficiency can be improved, the heat exchange and heat transfer capabilities are improved, the reaction time is shortened, the risk degree of art is reduced, the thermal runaway risk is avoided, the reaction safety is improved, and the realization of chemical industry intrinsic safety large scale production is facilitated.

Novel nitrating process of 3-nitro-4-chlorobenzotrifluoride

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Paragraph 0019; 0021; 0026; 0027; 0029, (2018/09/21)

The invention discloses a novel nitrating process of 3-nitro-4-chlorobenzotrifluoride. A used catalyst is a biodegradable ionic liquid with a quaternary ammonium cation structure; raw materials are p-chlorobenzotrifluoride and ammonium nitrate; nitration reaction is carried out under the action of the catalyst, so that the 3-nitro-4-chlorobenzotrifluoride is obtained. Compared with the prior art,the novel nitrating process of the 3-nitro-4-chlortrifluorotoluene, provided by the invention, has the advantages that (1) ammonium nitrate is adopted to replace nitric acid, so that the 3-nitro-4-chlorobenzotrifluoride is wide in raw material source, convenient to use, and less in equipment corrosion; (2) the ion liquid can be biodegraded, so that the 3-nitro-4-chlorobenzotrifluoride is environmentally friendly; (3) the ion liquid replaces concentrated sulfuric acid, so that the novel nitrating process of the 3-nitro-4-chlortrifluorotoluene is an environment-friendly chemical process, and hasa favorable industrial application prospect.

Synthetic method of aryl halide taking aryl carboxylic acid as raw material

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Paragraph 0091, (2018/01/03)

A synthetic method of an aryl halide taking aryl carboxylic acid as a raw material is characterized in that a corresponding aryl halide is formed by carrying out substitution reaction on an aryl carboxylic acid compound and haloid salt MX in an organic solvent under the condition that oxygen, a silver catalyst, a copper additive and a bidentate nitrogen ligand exist, wherein M in MX represents alkali metal or alkaline earth metal, and X represents F, Cl, Br or I. Compared with a conventional aryl halide synthetic method, the synthetic method disclosed by the invention has the obvious advantages that reaction raw materials (comprising aryl carboxylic acid and MX) are cheap and easy to obtain, the using amount of a metal catalyst is small, pollution to the environment when the oxygen is used as an oxidant is the smallest, good tolerance to various functional groups on an aromatic ring is obtained, the yield is high, and the like. The synthetic method disclosed by the invention can be widely applied to synthesis in the fields of medicine, materials, natural products and the like in industry and academia.

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