4-Chloro-6-methylquinazoline

Base Information

• Chemical Name: 4-Chloro-6-methylquinazoline
• CAS No.: 58421-79-7
• Molecular Formula: C9H7ClN2
• Molecular Weight: 178.621
• Hs Code.: 2933990090
• European Community (EC) Number: 824-906-8
• DSSTox Substance ID: DTXSID00359106
• Nikkaji Number: J1.872.834F
• Wikidata: Q72455120
• Mol file: 58421-79-7.mol

Synonyms:4-chloro-6-methylquinazoline;58421-79-7;MFCD03665203;4-chloro-6-methyl-quinazoline;SCHEMBL146680;AMY3683;DTXSID00359106;XNILKVADCMYCQT-UHFFFAOYSA-N;CS-D0540;STK843652;AKOS000268421;AB15706;4-chloro-6-methylquinazoline, AldrichCPR;AC-36906;AS-41805;SY045895;A8271;FT-0651950;EN300-51538;J-515118;F1244-0099;Z727600030

Chemical Property of 4-Chloro-6-methylquinazoline

Chemical Property:

• PSA: 25.78000
• LogP: 2.59160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 178.0297759
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

98%min ^*data from raw suppliers

4-chloro-6-methylquinazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=CN=C2Cl

Technology Process of 4-Chloro-6-methylquinazoline

There total 9 articles about 4-Chloro-6-methylquinazoline 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: 98.4%

6-methyl-4-hydroxyquinazoline (19181-53-4) → 4-chloro-6-methylquinazoline (58421-79-7)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 85 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.ejmech.2019.111665

Reference yield: 98.0%

→ 4-chloro-6-methylquinazoline (58421-79-7)

Guidance literature:

Reference yield: 90.0%

6-methyl-3H-quinazolin-4-one (19181-53-4) → 4-chloro-6-methylquinazoline (58421-79-7)

Guidance literature:

With trichlorophosphate; at 100 ℃; for 0.166667h; MW irradiation;

DOI:10.1016/S0040-4020(03)00053-X

upstream raw materials:

6-methyl-3H-quinazolin-4-one

2-Amino-5-methylbenzoic acid

2-amino-5-methylbenzamide

6-methyl-4-hydroxyquinazoline

Downstream raw materials:

6-methyl-N-phenylquinazolin-4-amine

Refernces

• 1、 -. "Quinazoline-containing myricetin derivative as well as preparation method and application thereof". Paragraph 0031; 0036-0037. . Retrieved 2021/02/10.
• 2、 Wang, Liang-Liang,Kong, Lingmei,Liu, Hui,Zhang, Yunqin,Zhang, Li,Liu, Xingyong,Yuan, Feng,Li, Yan,Zuo, Zhili. "Design and synthesis of novel artemisinin derivatives with potent activities against colorectal cancer in vitro and in vivo". . . Retrieved 2019/09/07.