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132812-72-7

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132812-72-7 Usage

Uses

An intermediate of Blonanserin (B595850).

Check Digit Verification of cas no

The CAS Registry Mumber 132812-72-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,2,8,1 and 2 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 132812-72:
(8*1)+(7*3)+(6*2)+(5*8)+(4*1)+(3*2)+(2*7)+(1*2)=107
107 % 10 = 7
So 132812-72-7 is a valid CAS Registry Number.
InChI:InChI=1S/C17H18FNO/c18-13-9-7-12(8-10-13)15-11-17(20)19-16-6-4-2-1-3-5-14(15)16/h7-11H,1-6H2,(H,19,20)

132812-72-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one

1.2 Other means of identification

Product number -
Other names -

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:132812-72-7 SDS

132812-72-7Relevant articles and documents

An investigation into formation of impurities during synthesis of blonanserin

Sudarshan Rao,Nageswara Rao,Uma Sankara Sastry,Muralikrishna,Jayashree

, p. 5928 - 5930 (2014)

During the process development of Blonanserin (1 ), we have observed formations of unknown impurities are in the final product at enhanced levels which was identified as Des ethyl impurity, di-N-ethylpiperazine impurity, Chloro impurity and des-fluoro impurity. The present work involves detailed optimization studies directed toward the development of an efficient process for the commercial production of Blonanserin substantially free from the chloro impurity and other impurities.

High-efficiency preparation method of blonanserin intermediate

-

Paragraph 6-9, (2019/12/25)

The invention discloses a high-efficiency preparation method of a blonanserin intermediate (BN-03). The method comprises the following two steps: (1) hydrolyzing p-fluorobenzoylacetonitrile by using 30% hydrogen peroxide in the presence of a composite catalyst composed of a heteropoly acid (a heteropoly acid salt) and a phase transfer catalyst under basic conditions in an organic solvent so as togenerate 3-(4-fluorophenyl)-3-oxo-propionamide; and (2) performing a reaction on 3-(4-fluorophenyl)-3-oxo-propionamide and cyclooctanone under the catalysis of an acid in at least one organic solventso as to obtain 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-2(1H)-one. The total yield of the product is increased from 63.5% to about 85%.

Synthetic method for Blonanserin

-

, (2017/01/12)

The invention discloses a synthetic method for Blonanserin. The synthetic method comprises the following steps: 1) methyl fluorobenzoate is taken as a raw material and subjected to condensation with acetonitrile, and a compound 3 is obtained; 2) polyphosphoric acid is heated, then the compound 3 and a cyclooctanone and an ionic liquid are added, and a compound 4 is obtained through a one-step reaction; 3) the compound 4 is subjected to chlorination through a phenylphosphonic dichloride compound, and a compound 5 is obtained; 4) the compound 5 is mixed with potassium iodide and 1-ethylpiperazine, the ionic liquid is added, heating and nucleophilic substitution are performed, and Blonanserin is obtained, wherein the ionic liquid in the step 2) and the step 3) is 1-ethyl-3-methylimidazolium tetrafluoroborate, the adding quantity of the ionic liquid in the step 2) is 30% of the mass of the compound 3, and the adding quantity of the ionic liquid in the step 3) is 30% of the mass of the compound 5. Compared with the conventional synthetic method for Blonanserin, the synthetic method has the advantages that the reaction time is shortened greatly, the yield is increased, the production cost is reduced, and the method is applicable to industrial production.

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