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3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one structure

CAS No:
63234-80-0
Formula:
C11H15ClN2O
Chemical Name:
3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Synonyms:
4H-Pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-;3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one;3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
Categories:
Pharmaceutical Intermediates > Antipsychotics

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Description

White Solid

3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one Basic Attributes

Molecular Weight：

226.7

Exact Mass：

226.70

EC Number：

1592732-453-0

UNII：

2089CR1AQN

DSSTox ID：

DTXSID00212626

HScode：

2933990090

Characteristics

PSA：

32.7

XLogP3：

1.1

Appearance：

White solid

Density：

1.3±0.1 g/cm3

Melting Point：

68.5-69.5 °C

Boiling Point：

337 °C

Flash Point：

157 °C

Refractive Index：

1.612

Storage Conditions：

-20°C Freezer

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

safety instructions：

RTECS Number：

LQ8625000

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one Use and Manufacturing

Methods of Manufacturing

28g of [3- (2-CHLOROETHYL)-2-METHYL-4H-PYRIDO [1, ] 2-a] pyrimidin-4-one obtained in step A) was dissolved in [90ML] of 6N hydrochloric acid, 2.8g of 10percent- palladium was added thereto, and then the mixture was hydrogenated under a hydrogen pressure of 35psi at room temperature for 8 hours. The reaction mixture was filtered through Cellite and the filtrate was concentrated under a reduced pressure, [200ML] of isopropanol was added to the residue, and then the mixture was stirred. The solid was filtered and dried to obtain 25. 1g of the title compound as a white crystal (yield: 90percent).

Uses

An intermediate in the synthesis of Risperidone

Computed Properties

Molecular Weight:226.70
XLogP3:1.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:226.0872908
Monoisotopic Mass:226.0872908
Topological Polar Surface Area:32.7
Heavy Atom Count:15
Complexity:347
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

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