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9-Benzyloxy-3-(2-Chloro ethyl)-2-methyl pyrido[1,2-a]pyrimidine-4-one, also known as 3-(2-Chloroethyl)-2-methyl-9-(benzyloxy)-4H-pyrido[1,2a]pyrimidin-4-one (CAS# 147687-17-0), is an off-white solid compound with significant utility in the field of organic synthesis. Its unique chemical structure, which includes a benzyloxy group, a chloroethyl group, and a methyl group, endows it with potential reactivity and versatility in various chemical reactions.

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  • 3-(2-Chloroethyl)-2-methyl-9-benzyloxy-4H-pyrido[1,2-a]pyrimidin-4-one/ LIDE PHARMA- Factory supply / Best price

    Cas No: 147687-17-0

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  • 147687-17-0 Structure
  • Basic information

    1. Product Name: 9-Benxyloxy-3-(2-Chloro ethyl)-2-methyl pyrido[1,2-a]pyrimidine-4-one
    2. Synonyms: 9-Benxyloxy-3-(2-Chloro ethyl)-2-methyl pyrido[1,2-a]pyrimidine-4-one;3-(2-Chloroethyl)-2-methyl-9-benzyloxy-4H-pyrido[1,2-a]pyrimidin-4-one (Paliperidone);3-(2-Chloroethyl)-2-methyl-9-benzyloxy-4H-pyrido[1,2-a]pyrimidin-4-one;2-a]pyriMidin-4-one;3-(2-chloroethyl)-2-Methyl-9-(phenylMethoxy)-;4H-Pyrido[1;4H-Pyrido[1,2-a]pyriMidin-4-one, 3-(2-chloroethyl)-2-Methyl-9-(phenylMethoxy)-;3-(2-Chloroethyl)-2-Methyl-9-(phenylMethoxy)-4H-pyrido[1,2-a]pyriMidin-4-one
    3. CAS NO:147687-17-0
    4. Molecular Formula: C18H17ClN2O2
    5. Molecular Weight: 328.79
    6. EINECS: 1312995-182-4
    7. Product Categories: APIs Intermediate;Bases & Related Reagents;Heterocycles;Nucleotides
    8. Mol File: 147687-17-0.mol
  • Chemical Properties

    1. Melting Point: 140-142°C
    2. Boiling Point: 504.979 °C at 760 mmHg
    3. Flash Point: 259.202 °C
    4. Appearance: Off-white solid
    5. Density: 1.243 g/cm3
    6. Vapor Pressure: 2.53E-10mmHg at 25°C
    7. Refractive Index: 1.608
    8. Storage Temp.: Refrigerator
    9. Solubility: Chloroform (Slightly), Methanol (Slightly)
    10. PKA: 2.72±0.70(Predicted)
    11. CAS DataBase Reference: 9-Benxyloxy-3-(2-Chloro ethyl)-2-methyl pyrido[1,2-a]pyrimidine-4-one(CAS DataBase Reference)
    12. NIST Chemistry Reference: 9-Benxyloxy-3-(2-Chloro ethyl)-2-methyl pyrido[1,2-a]pyrimidine-4-one(147687-17-0)
    13. EPA Substance Registry System: 9-Benxyloxy-3-(2-Chloro ethyl)-2-methyl pyrido[1,2-a]pyrimidine-4-one(147687-17-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 147687-17-0(Hazardous Substances Data)

147687-17-0 Usage

Uses

Used in Organic Synthesis:
9-Benzyloxy-3-(2-Chloro ethyl)-2-methyl pyrido[1,2-a]pyrimidine-4-one is used as a synthetic intermediate for the development of various organic compounds. Its application in organic synthesis is due to its unique chemical structure, which allows for further functionalization and the creation of a wide range of derivatives with diverse properties and potential applications across different industries.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 9-Benzyloxy-3-(2-Chloro ethyl)-2-methyl pyrido[1,2-a]pyrimidine-4-one is used as a key building block for the synthesis of novel drug candidates. Its structural features make it a promising starting material for the development of new therapeutic agents, particularly in the areas of oncology, where its potential reactivity and versatility can be harnessed to create targeted cancer treatments.
Used in Chemical Research:
9-Benzyloxy-3-(2-Chloro ethyl)-2-methyl pyrido[1,2-a]pyrimidine-4-one is also utilized in academic and industrial research settings as a model compound for studying various chemical reactions and mechanisms. Its unique structure provides researchers with valuable insights into the reactivity of different functional groups and the potential for developing new synthetic methodologies and strategies.

Check Digit Verification of cas no

The CAS Registry Mumber 147687-17-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,4,7,6,8 and 7 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 147687-17:
(8*1)+(7*4)+(6*7)+(5*6)+(4*8)+(3*7)+(2*1)+(1*7)=170
170 % 10 = 0
So 147687-17-0 is a valid CAS Registry Number.
InChI:InChI=1/C18H17ClN2O2/c1-13-15(9-10-19)18(22)21-11-5-8-16(17(21)20-13)23-12-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3

147687-17-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(2-chloroethyl)-2-methyl-9-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

1.2 Other means of identification

Product number -
Other names 3-(2-chloroethyl)-9-benzyloxy-2-methyl-4H-pyrido[1,2-a]pyrimidine-4-one

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:147687-17-0 SDS

147687-17-0Relevant articles and documents

METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER

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Paragraph 0135; 0136, (2021/07/30)

In an aspect, the disclosure pertains to inhibitors of ANGPTL4; synthesis methods for making disclosed compounds; pharmaceutical compositions comprising disclosed compounds; methods of treating disorders of uncontrolled cellular proliferation, e.g., a cancer; and methods of treating a disease associated with an ANGPTL4 dysfunction using disclosed compounds and pharmaceutical compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present disclosure. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present disclosure.

Preparation method of high-purity paliperidone intermediate

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, (2017/11/18)

The invention belongs to the technical field of medicine, and particularly discloses a preparation method of a high-purity paliperidone intermediate 3-(2-chloroethyl)-9-hydroxyl-2-methyl-6,7,8,9-tetrahydro-4H-pyridino[1,2-a] pyrimidine-4-ketone. The preparation method particularly comprises the following steps: preparing 9-(benzyloxy)-3-(2-chloroethyl)-2-methyl-4H-pyridino[1,2-a] pyrimidine-4-ketone by taking 2-amino-3-hydroxypyridine as a starting raw material and through benzyl protection, ring closure of alpha-acetyl-gamma-butyrolactone and chloro-substitution; dissolving the 9-(benzyloxy)-3-(2-chloroethyl)-2-methyl-4H-pyridino[1,2-a] pyrimidine-4-ketone into an alcohol solvent, adding acid and a palladium-charcoal catalyst, controlling hydrogen pressure, and after the reaction is completed, performing processes of filtering, concentrating, adjusting the pH value, extracting, concentrating and refining to obtain white-like powdered 3-(2-chloroethyl)-9-hydroxyl-2-methyl-6,7,8,9-tetrahydro-4H-pyridino[1,2-a] pyrimidine-4-ketone. The preparation method is short in cycle, the product is white-like, the yield reaches 70 percent or higher, the purity reaches 99 percent or higher, related impurities of chlorine-removed byproducts are avoided, and the preparation method is suitable for industrialized enlarged production.

Synthesis and absolute configuration assignment of 9-hydroxyrisperidone enantiomers

Xu, Weichu,Wright, George E.,Yanachkova, Milka,Yanachkov, Ivan B.

, p. 470 - 473 (2014/05/20)

The enantiomers of 9-hydroxyrisperidone, the major metabolite of risperidone and the active component of the antipsychotic drug Invega , were synthesized by efficient methods. Their optical rotation and enantiomeric purity were characterized for the first time. The absolute configurations were assigned by comparing 1H NMR chemical shifts of Mosher esters of a key stereoisomeric intermediate. Thus, the stereoisomeric center of (+)-9-hydroxyrisperidone has been assigned as the S configuration, and its enantiomer has the configuration R.

Processes for the preparation of paliperidone

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Page/Page column 17; 18, (2013/07/25)

The present invention relates to a novel process for the preparation of paliperidone and its intermediates and also relates to an improved process for the preparation of paliperidone compound of formula (I).

PROCESS FOR THE PREPARATION OF PALIPERIDONE AND ITS INTERMEDIATES

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Page/Page column 6, (2010/12/29)

A process for the preparation of a psychotropic agent Paliperidone. Preferably, this invention relates to a method for the purification of Paliperidone by making its acid addition salts.

Processes for the Preparation of Paliperidone and Pharmaceutically Acceptable Salts Thereof and Intermediates for Use in the Processes

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Page/Page column 13-14, (2010/12/29)

The present invention relates to novel compounds of formula (VIII) and (X), processes for their preparation and their use in the preparation of paliperidone or a salt thereof. There is also provided by the present invention novel processes for preparing intermediates for use in the preparation of paliperidone or a salt thereof, and novel processes for preparing paliperidone or a salt thereof.

Novel Intermediate for the Preparation of Paliperidone

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Page/Page column 3-4, (2009/07/25)

A new compound of formula (IV) R represents a protecting group which is removable by hydrogenation, and use thereof as an intermediate for preparing paliperidone.

AN IMPROVED, INDUSTRIALLY VIABLE PROCESS FOR THE PREPARATION OF HIGH PURITY PALIPERIDONE

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Page/Page column 13, (2009/03/07)

The present invention relates to an improved and industrially viable process for the preparation of high purity ≥ 99.8% chemical of paliperidone of formula-I (3-[2-[4-(6-fluoro-l,2-benzisoxazol-3-yl)-l-piperidinyl]ethyl]-6,7,8,9-tetra-hydro-9-hydroxy-2- methyl-4H-pyrido[l,2-a]pyrimidin-4-one), involving the novel intermediate, 3-(2- hydroxyethyl)-2-methyl-9-(phenylmethoxy)-4H-Pyrido[l,2-a]pyrimidin-4-one of formula-II. All intermediates encountered in the synthetic pathway of present invention are isolated by simple crystallization techniques in high pure. Paliperidone is useful as anti-psychotic agent in the treatment of psychotic disorders and is marketed under the brand name INVEGA.

3-[2-[4-(6-FLUORO-1,2-BENZISOXOZOL-3-YL)-1-PIPERIDINYL]ETHYL]-6,7,8,9 TETRAHYDRO-9-HYDROXY-2-METHYL-4H-PYRIDO [1,2-A]PYRIMIDIN-4-ONE, COMPOSITIONS AND METHOD OF USE

-

, (2008/06/13)

The present invention relates to novel 3-piperidinyl-1,2-benzisoxazoles having long-acting antipsychotic properties and which are useful in the treatment of warm-blooded animals suffering from psychotic diseases. Methods of preparing said compounds and compositions containing the same.

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