CAS 41078-70-0

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Description:

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, with the CAS number 41078-70-0, is a heterocyclic organic compound characterized by its pyrido-pyrimidine structure. This compound features a chloroethyl group, which contributes to its reactivity and potential biological activity. The presence of the methyl group enhances its lipophilicity, potentially influencing its pharmacokinetic properties. Typically, compounds of this class may exhibit various biological activities, including antimicrobial or anticancer properties, due to their ability to interact with biological targets such as enzymes or receptors. The molecular structure suggests that it may participate in hydrogen bonding and other interactions, which are crucial for its biological function. Additionally, the compound's stability and solubility can vary based on environmental conditions, such as pH and solvent polarity. Overall, 3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one represents a class of compounds that may have significant implications in medicinal chemistry and drug development.

Formula: C₁₁H₁₁ClN₂O

InChI: InChI=1S/C11H11ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-4,7H,5-6H2,1H3

InChI key: InChIKey=LFTGLYCNMGGMKL-UHFFFAOYSA-N

SMILES: O=C1N2C(=NC(C)=C1CCCl)C=CC=C2

Synonyms:

• 3-(2-Chloroethyl)-2-Methylpyrido[1,2-A]Pyrimidin-4-One
• 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-
• 3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
• :3-(2-chloroethyl)-2-methyl-4h-pyrido-[1,2-a]pyrimidin-4-one

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

CAS: 41078-70-0

Formula: C₁₁H₁₁ClN₂O

Purity: 98%

Color and Shape: Solid

Molecular weight: 222.6708

Ref: IN-DA0073CI

3-(2-Chloroethyl)-2-Methyl-4H-Pyrido[1,2-a]Pyrimidin-4-One

CAS: 41078-70-0

3-(2-Chloroethyl)-2-Methyl-4H-Pyrido[1,2-a]Pyrimidin-4-One

Purity: 98%

Molecular weight: 222.67g/mol

Ref: 54-OR1010637

Risperidone Impurity 3

CAS: 41078-70-0

Formula: C₁₁H₁₁ClN₂O

Color and Shape: White To Off-White Solid

Molecular weight: 222.67

Ref: 4Z-R-0640

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

CAS: 41078-70-0

Color and Shape: White Solid

Ref: 86-MM0491.29

Risperidone Impurity 4

CAS: 41078-70-0

Formula: C₁₁H₁₁ClN₂O

Molecular weight: 222.70

Ref: ST-EA-CP-R15072

3-(2-Chloro-ethyl)-2-methyl-pyrido[1,2-a]pyrimidin-4-one

CAS: 41078-70-0

Formula: C₁₁H₁₁ClN₂O

Purity: 98%

Color and Shape: Solid

Molecular weight: 222.67

Ref: 10-F036503

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

CAS: 41078-70-0

Applications An intermediate in the synthesis of Risperidone (R525000), which is a combined serotonin (5-HT2) and dopamine (D2) receptor antagonist.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Brown, T., et al.: J. Med. Chem., 33, 527 (1990), Yapi, A., et al.: Chem. Pharm. Bull., 48, 1886 (2000), Yapi, A., et al.: Arch. Pharm., 339, 201 (2006); Jannssen, P.A.J., et al.: J. Pharmacol. Exp. Ther., 244, 685 (1988); Gelders, Y.G., et al.: Pharmacopsychiatry, 23, 206 (1990); Green, B.: Curr. Med. Res. Opin., 16, 57 (2000);

Formula: C₁₁H₁₁ClN₂O

Color and Shape: Neat

Molecular weight: 222.67

Ref: TR-C366150

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

CAS: 41078-70-0

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is a chemical compound that is used to synthesize the drug paliperidone. The reaction time of this synthesis reaction is high and the yield is high. The conformation of the product can be predicted with theory. The hydrochloride salt of the product has a higher solubility in water than does the free base form. The reactants are 3-(2-chloroethyl) pyridine and 2-methyl 4H pyrido[1,2-a]pyrimidin-4-one, which are both cheap and easily accessible. This synthesis can be carried out using solvents such as phosphorus oxychloride or carbonyl oxychloride. The dihedral angle for this molecule is around 100 degrees, which makes it a planar molecule. This compound reacts with pyridine

Formula: C₁₁H₁₁ClN₂O

Purity: Min. 95%

Molecular weight: 222.67 g/mol

Ref: 3D-FC20228

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

CAS: 41078-70-0

Formula: C₁₁H₁₁ClN₂O

Purity: >98.0%(GC)(T)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 222.67

Ref: 3B-C2716