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2-(chloromethyl)-4-methylquinazoline

CAS：109113-72-6
MW:192.64
MF：C10H9ClN2

2-(Chloromethyl)-4-methylquinazoline, with the chemical formula C10H9ClN2 and CAS registry number 109113-72-6, is a compound known for its potential applications in the field of medicinal chemistry. This compound is characterized by the presence of a chloromethyl group and a methyl group attached to a quinazoline ring. It may exhibit interesting pharmacological properties due to its structural features. Further research is needed to explore its potential as a therapeutic agent or as a building block for the synthesis of biologically active compounds.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2-(chloromethyl)-4-methylquinazoline

1.2 Synonyms: 2-(3-HYDROXY-5-METHOXY-2-PROPYLPHENYL)ACETIC ACID; 2-(chloro methyl)-4-methyl quinazoline; 2-(chloromethyl)-4-methylquinazoline; 2-(chloromethyl)-4-methylquizoline; 2-chloroMethyl-4-Methyl quinaoline; 2-Chloromethyl-4-methylchinazolin; 2-chloromethyl-4-methylquinazoline; Linagliptin interMediate A; Linagliptin INT3; Linaint-I; Quinazoline, 2-(chloromethyl)-4-methyl-; Quinazoline,2-(chloroMethyl)-4-Methyl-;

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1.3 CAS No.: 109113-72-6

1.4 CID: 241518

1.5 EINECS: 1308068-626-2

1.6 Molecular Formula: C10H9ClN2

1.7 Inchi: InChI=1S/C10H9ClN2/c1-7-8-4-2-3-5-9(8)13-10(6-11)12-7/h2-5H,6H2,1H3

1.8 InChkey: UHCUBOJGMLASBY-UHFFFAOYSA-N

1.9 Canonical Smiles: CC1=NC(=NC2=CC=CC=C12)CCl

1.10 Isomers Smiles: CC1=NC(=NC2=CC=CC=C12)CCl

2. Properties

2.1 Λmax: 318nm(EtOH)(lit.)

2.2 Appearance: Not Available

2.3 Chemical Properties: White to yellow powder

2.4 Color/Form: Powder

2.5 pKa: 1.86±0.50(Predicted)

2.6 StorageTemp: Keep in dark place,Inert atmosphere,2-8°C

3. Use and Manufacturing

3.1 Description

2-(Chloromethyl)-4-methylquinazoline, with the chemical formula C10H9ClN2, has the CAS number 109113-72-6. It appears as a colorless solid with no distinct odor. The basic structure of this chemical consists of a quinazoline ring with a methyl group and a chloromethyl group attached to it. 2-(Chloromethyl)-4-methylquinazoline is sparingly soluble in water. Safety information regarding this chemical is not available.

Applicable Fields

There is no information available regarding the applicable fields and purpose of 2-(Chloromethyl)-4-methylquinazoline or its mechanism of action.

Storage

ConditionsStore in a cool and dry place.

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4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. Synthesis Route

109113-72-6Total: 3 Synthesis Route

107-14-2 119 Suppliers

109113-72-6 177 Suppliers

6640-59-1

109113-72-6 177 Suppliers

6. Precursor and Product

precursor:

6640-59-1

107-14-2

70656-87-0

product:

853029-57-9

7. Computed Properties

Molecular Weight：192.64g/mol
Molecular Formula：C₁₀H₉ClN₂
Compound Is Canonicalized：True
XLogP3-AA：192.0454260
Monoisotopic Mass：192.0454260
Complexity：174
Rotatable Bond Count：1
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：25.8
Heavy Atom Count：：13
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBzAAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAIAAAAADAuBH0Az0PYIEACgAyZiZACCgCkhAqAJmCAwZJiIKKLA2dHEJAhogALIyCcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

8.Other Information

Chemical Properties: White to yellow powder

Synthesis Reference(s): Journal of Heterocyclic Chemistry, 23, p. 1263, 1986 DOI: 10.1002/jhet.5570230458

9. Toltal 161 Suppliers View more

Hubei Jiutian Bio-medical Technology Co., Ltd

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Tel: Update Time:2024/09/17

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Factory Supply 2-(chloromethyl)-4-methylquinazoline CAS 109113-72-6

Hebei Crovell Biotech Co. Ltd

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Amitychem Corporation

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Hebei Yanxi Chemical Co.,Ltd

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CANGZHOU ENKE PHARMA-TECH CO.,LTD

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10. Related Questions

: How to Synthesize 2-(chloromethyl)-4-methylquinazoline?Introduction 2-(chloromethyl)-4-methylquinazoline is an important intermediate for the synthesis of Liraglutide, with a molecular formula of C10H9ClN2. It appears as a white powder. Figure 1: 2-(chlor..; What is the synthesis route of 2-(chloromethyl)-4-methylquinazoline?Introduction 2-(chloromethyl)-4-methylquinazoline is a compound with the chemical formula C8H8ClN3 and a molecular weight of 192.645. It is a white to light yellow crystalline solid. Linagliptin, deve..

11. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 EINECS(EC#)
1.5 Molecular Formula
1.6 Inchi
1.7 InChkey
1.8 Canonical Smiles
1.9 Isomers Smiles

2. Properties

2.1 Λmax
2.2 Appearance
2.3 Chemical Properties
2.4 Color/Form
2.5 pKa
2.6 StorageTemp

3. Use and Manufacturing

3.1 Description

4. Msds

5. Synthesis Route

6. Precursor and Product

7. Computational chemical data

8. Other Information

9. Toltal 161 Suppliers

10. Related Questions

11. Realated Product Infomation

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