2-(chloromethyl)-3-(4-methylphenyl)quinazolin-4(3H)-one

Base Information

• Chemical Name: 2-(chloromethyl)-3-(4-methylphenyl)quinazolin-4(3H)-one
• CAS No.: 22312-80-7
• Molecular Formula: C₁₆H₁₃ClN₂O
• Molecular Weight: 284.745
• DSSTox Substance ID: DTXSID60398213
• Wikidata: Q82200069
• Mol file: 22312-80-7.mol

Synonyms:22312-80-7;2-(chloromethyl)-3-(4-methylphenyl)quinazolin-4(3H)-one;2-(Chloromethyl)-3-(p-tolyl)quinazolin-4(3H)-one;2-(CHLOROMETHYL)-3-P-TOLYLQUINAZOLIN-4(3H)-ONE;2-(chloromethyl)-3-(4-methylphenyl)quinazolin-4-one;SCHEMBL4393410;DTXSID60398213;MFCD03197023;STK149403;AKOS000268930;AS-35494;CS-0450060;A910593;2-(chloromethyl)-3-(4-methylphenyl)-3,4-dihydroquinazolin-4-one

Chemical Property of 2-(chloromethyl)-3-(4-methylphenyl)quinazolin-4(3H)-one

Chemical Property:

• Melting Point: 265-266 °C(Solv: methanol (67-56-1))
• Boiling Point: 453.4±55.0 °C(Predicted)
• PKA: 0.77±0.70(Predicted)
• Density: 1.26±0.1 g/cm3(Predicted)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 284.0716407
• Heavy Atom Count: 20
• Complexity: 401

Purity/Quality:

97% ^*data from raw suppliers

2-(Chloromethyl)-3-(4-methylphenyl)quinazolin-4(3H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCl

Technology Process of 2-(chloromethyl)-3-(4-methylphenyl)quinazolin-4(3H)-one

There total 6 articles about 2-(chloromethyl)-3-(4-methylphenyl)quinazolin-4(3H)-one 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: 71.0%

p-toluidine (106-49-0,12221-03-3) + 2-chloroacetamidobenzoic acid (14422-49-2) → 2-chloromethyl-3-(4-methylphenyl)-3H-quinazolin-4-one (22312-80-7)

Guidance literature:

With phosphorus trichloride; In toluene; for 3h; Heating;

Reference yield: 36.54%

C9H7Cl2NO2 + p-toluidine (106-49-0,12221-03-3) → 2-chloromethyl-3-(4-methylphenyl)-3H-quinazolin-4-one (22312-80-7)

Guidance literature:

at 20 ℃;

DOI:10.1016/j.ejmech.2019.111879

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-chloromethyl-3-(4-methylphenyl)-3H-quinazolin-4-one (22312-80-7)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / 3 h / Reflux

2: trichlorophosphate / 3 h / 115 °C

With trichlorophosphate; In benzene;

DOI:10.1016/j.ejmech.2017.03.052

upstream raw materials:

p-toluidine

2-chloroacetamidobenzoic acid

anthranilic acid

2-(2-chloro-acetylamino)-N-p-tolyl-benzamide

Downstream raw materials:

2-(2-Ethoxy-ethoxymethyl)-3-p-tolyl-3H-quinazolin-4-one

2-(2-Dimethylamino-ethoxymethyl)-3-p-tolyl-3H-quinazolin-4-one

2-(2-Methoxy-ethoxymethyl)-3-p-tolyl-3H-quinazolin-4-one

2-(2-Butoxy-ethoxymethyl)-3-p-tolyl-3H-quinazolin-4-one

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