4(3H)-Quinazolinone, 6-chloro-3-methyl-

Base Information

• Chemical Name: 4(3H)-Quinazolinone, 6-chloro-3-methyl-
• CAS No.: 16064-09-8
• Molecular Formula: C9H7 Cl N2 O
• Molecular Weight: 194.6177
• DSSTox Substance ID: DTXSID60166954
• Nikkaji Number: J1.239.737B
• Wikidata: Q83036247

Synonyms:16064-09-8;6-chloro-3-methylquinazolin-4(3H)-one;4(3H)-Quinazolinone, 6-chloro-3-methyl-;6-chloro-3-methylquinazolin-4-one;BRN 0779039;6-CHLORO-3-METHYL-4-QUINAZOLINONE;6-chloro-3-methyl-3,4-dihydroquinazolin-4-one;6-Chloro-3-methyl-4(3H)-quinazolinone;Chloro-6 methyl-3 (3H) quinazolinone-4 [French];Chloro-6 methyl-3 (3H) quinazolinone-4;5-24-03-00053 (Beilstein Handbook Reference);SCHEMBL9919058;DTXSID60166954;MFCD01686319;AKOS027252246;6-Chloro-3-methylquinazoline-4(3H)-one;AS-37480;LS-140486;CS-0308795;EN300-132901;Z335825800

Chemical Property of 4(3H)-Quinazolinone, 6-chloro-3-methyl-

Chemical Property:

• Vapor Pressure: 5.67E-05mmHg at 25°C
• Boiling Point: 346.7°Cat760mmHg
• Flash Point: 163.4°C
• Density: 1.37g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 194.0246905
• Heavy Atom Count: 13
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C(C1=O)C=C(C=C2)Cl

Technology Process of 4(3H)-Quinazolinone, 6-chloro-3-methyl-

There total 3 articles about 4(3H)-Quinazolinone, 6-chloro-3-methyl- 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: 65.0%

N-Methylformamide (123-39-7) + 5-chloroanthranilic acid (635-21-2) → 6-chloro-3-methylquinazolin-4(3H)-one (16064-09-8)

Guidance literature:

at 180 ℃;

DOI:10.1016/j.bmc.2009.10.055

Reference yield: 52.0%

5-Chlor-N-formyl-anthranilsaeure (26208-56-0) + methylamine (74-89-5) → 6-chloro-3-methylquinazolin-4(3H)-one (16064-09-8)

Guidance literature:

With pyridine; phosphorus trichloride; In water; at 40 ℃; for 1.5h;

DOI:10.1016/S0014-827X(99)00102-0

Reference yield:

→ 6-chloro-3-methylquinazolin-4(3H)-one (16064-09-8)

Guidance literature:

Chinazolinon 9, NaOCH3, CH3J;

upstream raw materials:

5-Chlor-N-formyl-anthranilsaeure

methylamine

N-Methylformamide

5-chloroanthranilic acid

Downstream raw materials:

tert-butyl 4-methyl-3-(3-methyl-4-oxo-3,4-dihydroquinazolin-6-ylamino)phenylcarbamate

6-chloro-1-[2-phenyl-2-oxoethyl]-3-methyl-4-oxo-3,4-dihydroquinazolin-1-ium bromide

C₂₇H₁₉F₄N₅O₃

C₂₇H₁₉F₄N₅O₃

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