2-(CHLOROMETHYL)-4(3H)-QUINAZOLINONE

Base Information

• Chemical Name: 2-(CHLOROMETHYL)-4(3H)-QUINAZOLINONE
• CAS No.: 3817-05-8
• Molecular Formula: C9H7 Cl N2 O
• Molecular Weight: 194.62
• Hs Code.: 2933990090
• Mol file: 3817-05-8.mol

Synonyms:4(1H)-Quinazolinone,2-(chloromethyl)- (9CI); 2-(Chloromethyl)-4(1H)-quinazolinone

Chemical Property of 2-(CHLOROMETHYL)-4(3H)-QUINAZOLINONE

Chemical Property:

• Vapor Pressure: 8.43E-05mmHg at 25°C
• Melting Point: 249-253 °C(lit.)
• Boiling Point: 340.7°Cat760mmHg
• PKA: 1.26±0.20(Predicted)
• Flash Point: 159.9°C
• PSA: 45.75000
• Density: 1.42g/cm³
• LogP: 1.66190

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloromethyl-1H-quinazolin-4-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(CHLOROMETHYL)-4(3H)-QUINAZOLINONE

There total 16 articles about 2-(CHLOROMETHYL)-4(3H)-QUINAZOLINONE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

ethyl (2-chloroaceto)acetate (638-07-3) + anthranilic acid amide (28144-70-9,88-68-6) → 2-(chloromethyl)quinazolin-4(3H)-one (3817-05-8)

Guidance literature:

With ethanolamine-phosphoric acid functionalized polyacrylonitrile fibers (PAN_EAPF); In water; at 100 ℃; for 15h; Green chemistry;

DOI:10.1039/c7gc02935g

Reference yield: 94.0%

chloroacetonitrile (107-14-2) + 2-ethoxycarbonylaniline (87-25-2) → 2-(chloromethyl)quinazolin-4(3H)-one (3817-05-8)

Guidance literature:

With hydrogenchloride; In water; for 0.5h; Microwave irradiation;

DOI:10.1002/jhet.30

Reference yield: 89.0%

Methyl 4-chloroacetoacetate (32807-28-6,935731-94-5) + anthranilic acid amide (28144-70-9,88-68-6) → 2-(chloromethyl)quinazolin-4(3H)-one (3817-05-8)

Guidance literature:

With phosphoric acid; In ethanol; at 50 ℃; for 15h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.5b00937

upstream raw materials:

2-ω-chloroacetylaminobenzamide

methyl N-(chloroacetyl)anthranilate

chloroacetonitrile

2-carbomethoxyaniline

Downstream raw materials:

2-{[(4-methoxyphenyl)amino]methyl}quinazolin-4(3H)-one

4-chloro-2-(chloromethyl)quinazoline

2-(hydroxymethyl)quinazolin-4(3H)-one

2-(4-Chloro-phenyl)-10,10a-dihydro-3aH-2,3b,9-triaza-pentaleno[1,2-b]naphthalene-1,3,4-trione

Refernces

• 1、 Chortani, Sarra,Horchani, Mabrouk,Znati, Mansour,Issaoui, Noureddine,Jannet, Hichem Ben,Romdhane, Anis. "Design and synthesis of new benzopyrimidinone derivatives: α-amylase inhibitory activity, molecular docking and DFT studies". . . Retrieved 2021/01/25.
• 2、 Ameen, Mohamed A.,Ahmed, Essam Kh.,Ramadan, Mohamed,Abd El-Naby, Hisham A.,Abdel-Haseeb, Asmaa A.. "Synthesis and evaluation of anticancer and PDE 5 inhibitory activity of spiro-substituted quinazolin-4-ones". . p. 1513 - 1523. Retrieved 2017/07/18.