7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one

cas no. 199327-61-2

What is 7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one, cas no. 199327-61-2,a producer telling you the result.

CAS NO. 199327-61-2

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To begin with, let us tell you what is the basic information of 7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one CAS NO. 199327-61-2?

Molecular Formula	C16H21N3O4	Molecular Weight	319.356
Density	1.3±0.1 g/cm3	Boiling Point	564.4±50.0 °C at 760 mmHg
Flash Point	295.2±30.1 °C	Exact Mass	319.153198

Like many stuff, it has many synonyms as follows

Gefitinib Impurity 17

7-Methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4(3H)-one

7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one

7-Methoxy-6-[3-(4-morpholinyl)propoxy]-4(1H)-quinazolinone

4(3H)-Quinazolinone, 7-methoxy-6-[3-(4-morpholinyl)propoxy]-

First, the chemical is very special, some technical indexes as below

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Calculate chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: 3

6. Topological molecular polarity surface area: 72.4

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 426

10. Number of isotopic atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Second, the Synthetic Route we will recommend is the most important for your reference?

First, synthesis line of 7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one CAS NO. 199327-61-2 as follows

Synthetic route design

1. Selection of starting materials

Benzene derivatives: Choose a suitable benzene ring derivative as the starting material, which should contain the main substituents on the benzene ring in the target molecule.

Protective groups: If there are functional groups in the target molecule that are sensitive to subsequent reactions (such as hydroxyl, amino, etc.), protective groups need to be introduced at these positions.

2. Build the core skeleton

Constructing benzene ring substituents: Introducing the desired substituents onto the benzene ring through substitution reactions such as halogenation, nitration, sulfonation, etc.

Constructing amide bonds: If the target molecule contains amide bonds, they can be constructed through the reaction of acyl chloride with amine (amidation reaction). Firstly, convert the carboxyl group on the benzene ring into acyl chloride, and then react with the corresponding amine.

3. Introduce other functional groups

Alkylation: If the target molecule contains alkyl substituents, they can be introduced through alkylation reactions such as Friedel Crafts alkylation.

Halogen substitution: If halogen atoms need to be introduced, it can be achieved through halogenation reaction.

Remove protective groups: If protective groups were previously introduced, they now need to be removed to expose the original functional groups.

4. Fine tuning

Reduction: If there are unsaturated bonds (such as carbon carbon double bonds, carbon oxygen double bonds, etc.) in the target molecule, these bonds can be saturated through a reduction reaction.

Oxidation: On the contrary, if it is necessary to introduce functional groups such as carbonyl groups, it can be achieved through oxidation reactions.

Rearrangement: In some cases, it may be necessary to adjust the molecular skeleton structure through rearrangement reactions.

5. Purification and characterization

Purification: Purify the target product through methods such as crystallization, distillation, and chromatographic separation.

Characterization: Use NMR, IR, MS and other spectroscopic methods to characterize the product and confirm its structure.

Third, what is the usage of 7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one CAS NO. 199327-61-2 ? pleas see below

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Usage of 199327-61-2 is to serve as a reference substance for impurity A in gefitinib for HPLC qualitative identification. ‌

Impurity A of gefitinib is a reference substance mainly used for qualitative identification in high-performance liquid chromatography (HPLC). This reference substance is packaged in brown penicillin bottles, with a specification of 20mg/vial, and needs to be stored at 10-30 ℃ under light shielding and sealed conditions. No drying treatment is required before use, and the reference substance remains valid until the national drug standard substance is notified of discontinuation. This reference substance is provided by the China National Institute for Food and Drug Control and is located at No. 2-1, Tiantan Xili, Dongcheng District, Beijing.

In addition, the CAS number of impurity A in gefitinib is 199327-61-2, and its uses also include serving as a standard substance for quality control and testing method development to ensure the quality and safety of the drug. This reference substance plays an important role in drug development and production processes, helping to ensure product purity and compliance with relevant standards

Other usages as below

Used for the synthesis of Gefitinib Cas no. 184475-35-2

Used for the synthesis of 4-(3-chloro-4-fluoroanilino)-6-(3-morpholin-4-ylpropoxy)-1H-quinazolin-7-one

Cas no. 847949-49-9

Besides Safety Information of 7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one CAS NO.199327-61-2 is also important when handling it

Hazard Codes	Xi
WGK Germany	3
H．S．Code：	2934 9990.99
TSCA	Yes
HazardClass	IRRITANT

What is the appearance of 7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one CAS NO.199327-61-2? Please see the picture of 7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one CAS NO.199327-61-2, below