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1189352-83-7

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1189352-83-7 Usage

Description

3-Chloro-5-(trifluoromethyl)benzene iodine is an organic compound that features a benzene ring with a chlorine atom at the 3-position, a trifluoromethyl group at the 5-position, and an iodine atom attached to the molecule. This halogenated aromatic compound is known for its unique chemical properties and potential applications in various fields.

Uses

Used in Pharmaceutical Research:
3-Chloro-5-(trifluoromethyl)benzene iodine is used as a key intermediate in the synthesis of Bruton's tyrosine kinase inhibitors. These inhibitors are important for the development of novel drugs targeting various diseases, including autoimmune and inflammatory conditions.
In the specific case of Bruton's tyrosine kinase (BTK), it plays a crucial role in B-cell activation and the immune response. Inhibiting BTK can help regulate the immune system and has potential therapeutic applications in treating conditions such as rheumatoid arthritis, lupus, and certain types of cancer.
3 chloro 5 (trifluoroMethyl) benzene iodine is particularly used in the synthesis of pyrimidinyl bipiperidine, which is a class of BTK inhibitors. This application highlights the importance of 3-chloro-5-(trifluoromethyl)benzene iodine in advancing pharmaceutical research and drug development.
Used in Chemical Synthesis:
3-Chloro-5-(trifluoromethyl)benzene iodine can also be utilized in various chemical synthesis processes due to its unique structure and reactivity. The presence of the chlorine and trifluoromethyl groups allows for further functionalization and modification of the molecule, making it a versatile building block for the creation of new compounds with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 1189352-83-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,8,9,3,5 and 2 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1189352-83:
(9*1)+(8*1)+(7*8)+(6*9)+(5*3)+(4*5)+(3*2)+(2*8)+(1*3)=187
187 % 10 = 7
So 1189352-83-7 is a valid CAS Registry Number.

1189352-83-7SDS

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 1-Chloro-3-iodo-5-(trifluoromethyl)benzene

1.2 Other means of identification

Product number -
Other names 1-chloro-3-iodo-5-(trifluoromethyl)benzene

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:1189352-83-7 SDS

1189352-83-7Synthetic route

2-chloro-6-iodo-4-(trifluoromethyl)benzenamine
1065102-88-6

2-chloro-6-iodo-4-(trifluoromethyl)benzenamine

1-chloro-3-iodo-5-(trifluoromethyl)benzene
1189352-83-7

1-chloro-3-iodo-5-(trifluoromethyl)benzene

Conditions
ConditionsYield
Stage #1: 2-chloro-6-iodo-4-(trifluoromethyl)benzenamine With hydrogenchloride In water at 55 - 60℃; for 0.333333h;
Stage #2: With sodium nitrite In water at 0 - 5℃; for 1.66667h;
Stage #3: With hypophosphorous acid In water at 5 - 35℃;
66%
trifluoroacetic acid-methyl ester
431-47-0

trifluoroacetic acid-methyl ester

1-chloro-3-iodo-5-(trifluoromethyl)benzene
1189352-83-7

1-chloro-3-iodo-5-(trifluoromethyl)benzene

1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
1125812-58-9

1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone

Conditions
ConditionsYield
Stage #1: 1-chloro-3-iodo-5-(trifluoromethyl)benzene With isopropylmagnesium chloride In tetrahydrofuran at -5 - 5℃;
Stage #2: trifluoroacetic acid-methyl ester In tetrahydrofuran at 0 - 5℃;
Stage #3: With hydrogenchloride In tetrahydrofuran; water at 0 - 5℃;
69%
1-chloro-3-iodo-5-(trifluoromethyl)benzene
1189352-83-7

1-chloro-3-iodo-5-(trifluoromethyl)benzene

C27H27BO3

C27H27BO3

C28H18ClF3O

C28H18ClF3O

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 110℃; for 24h; Inert atmosphere;69%
1-chloro-3-iodo-5-(trifluoromethyl)benzene
1189352-83-7

1-chloro-3-iodo-5-(trifluoromethyl)benzene

ethyl (R)-2-pyrrolidone-5-carboxylate
68766-96-1

ethyl (R)-2-pyrrolidone-5-carboxylate

ethyl 1-(3-chloro-5-(trifluoromethyl)phenyl)-5-oxopyrrolidine-2-carboxylate
1510829-97-6

ethyl 1-(3-chloro-5-(trifluoromethyl)phenyl)-5-oxopyrrolidine-2-carboxylate

Conditions
ConditionsYield
With copper(l) iodide; caesium carbonate; N,N`-dimethylethylenediamine In 1,4-dioxane at 40℃; Inert atmosphere;
1-chloro-3-iodo-5-(trifluoromethyl)benzene
1189352-83-7

1-chloro-3-iodo-5-(trifluoromethyl)benzene

C24H35ClF3N3O5
1510832-47-9

C24H35ClF3N3O5

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: copper(l) iodide; caesium carbonate; N,N`-dimethylethylenediamine / 1,4-dioxane / 40 °C / Inert atmosphere
2: diisobutylaluminium hydride / 2-methyltetrahydrofuran; n-heptane / -45 - -35 °C / Inert atmosphere
3: sodium tris(acetoxy)borohydride / dimethyl sulfoxide / 2 h / 45 - 55 °C / Inert atmosphere
View Scheme
1-chloro-3-iodo-5-(trifluoromethyl)benzene
1189352-83-7

1-chloro-3-iodo-5-(trifluoromethyl)benzene

C21H25ClF4N6O3

C21H25ClF4N6O3

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: copper(l) iodide; caesium carbonate; N,N`-dimethylethylenediamine / 1,4-dioxane / 4 h / 40 °C / Inert atmosphere
2: diisobutylaluminium hydride / 2-methyltetrahydrofuran / -30 °C
3: sodium tris(acetoxy)borohydride / 2-methyltetrahydrofuran
4: hydrogenchloride / tetrahydrofuran; water
View Scheme

1189352-83-7Relevant articles and documents

METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES

-

Page/Page column 50, (2009/11/29)

Disclosed is a method for preparing a compound of Formula 1 wherein Q and Z are as defined in the disclosure comprising distilling water from a mixture comprising a compound of Formula 2, a compound of Formula 3, a base comprising at least one compound selected from the group consisting of alkaline earth metal hydroxides of Formula 4 wherein M is Ca, Sr or Ba, alkali metal carbonates of Formula 4a wherein M1 is Li, Na or K, 1,5-diazabicyclo[4.3.0]non-5-ene and 1,8-diazabicyclo[5.4.0]undec-7-ene, and an aprotic solvent capable of forming a low-boiling azeotrope with water. Also disclosed is a method for preparing a compound of Formula 2 comprising (1) forming a reaction mixture comprising a Grignard reagent derived from contacting a compound of Formula 5 wherein X is Cl, Br or I with magnesium metal or an alkylmagnesium halide in the presence of an ethereal solvent, and then (2) contacting the reaction mixture with a compound of Formula 6 wherein Y is OR11 or NR12 R13, and R11, R12 and R13 are as defined in the disclosure. Further disclosed is a method for preparing a compound of Formula 7 wherein Q and Z are as defined in the disclosure, using a compound of Formula 1 characterized by preparing the compound of Formula 1 by the method disclosed above or using a compound of Formula 1 prepared by the method disclosed above.

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