4-Chloro-6-fluoroquinazoline

Base Information

• Chemical Name: 4-Chloro-6-fluoroquinazoline
• CAS No.: 16499-61-9
• Molecular Formula: C8H4ClFN2
• Molecular Weight: 182.585
• Hs Code.: 2933990090
• European Community (EC) Number: 863-020-6
• DSSTox Substance ID: DTXSID80516730
• Wikidata: Q72451518
• Mol file: 16499-61-9.mol

Synonyms:4-Chloro-6-fluoroquinazoline;16499-61-9;MFCD07776652;QUINAZOLINE, 4-CHLORO-6-FLUORO-;SCHEMBL858063;DTXSID80516730;XIKGISGZFBCGDW-UHFFFAOYSA-N;BCP27459;CS-D0549;AKOS000320228;AB42372;4-Chloro-6-fluoroquinazoline, AldrichCPR;DS-10350;SY031664;A3666;AM20030109;FT-0645897;EN300-51537;J-515095;F2124-1042;Z727597198

Chemical Property of 4-Chloro-6-fluoroquinazoline

Chemical Property:

• Vapor Pressure: 0.00498mmHg at 25°C
• Refractive Index: 1.634
• Boiling Point: 284.881 °C at 760 mmHg
• PKA: 0.17±0.30(Predicted)
• Flash Point: 126.092 °C
• PSA: 25.78000
• Density: 1.447 g/cm³
• LogP: 2.42230
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 182.0047040
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-6-fluoroquinazoline ^*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: C1=CC2=C(C=C1F)C(=NC=N2)Cl

Technology Process of 4-Chloro-6-fluoroquinazoline

There total 6 articles about 4-Chloro-6-fluoroquinazoline 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%

6-fluoro-3,4-dihydroquinazolin-4-one (16499-56-2) → 4-chloro-6-fluoro-quinazoline (16499-61-9)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; for 2h; Heating;

DOI:10.3390/molecules22020188

Reference yield:

6-fluoroquinazolin-4-ol (16499-56-2) → 4-chloro-6-fluoro-quinazoline (16499-61-9)

Guidance literature:

With thionyl chloride; at 20 ℃;

Reference yield:

2-amino-5-fluorobenzoic acid (446-08-2) → 4-chloro-6-fluoro-quinazoline (16499-61-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 160 °C

2: thionyl chloride / 20 °C

With thionyl chloride;

upstream raw materials:

6-fluoro-3,4-dihydroquinazolin-4-one

2-amino-5-fluorobenzoic acid

6-fluoroquinazolin-4-ol

2-amino-5-fluorobenzamide

Downstream raw materials:

N-(3-chloro-4-fluorophenyl)-6-fluoroquinazolin-4-amine

C₁₄H₈ClF₂N₃

C₁₄H₈ClF₂N₃

C₁₄H₈ClF₂N₃

Refernces

• 1、 Zhang, Zixue,Zhang, Qingwei,Zhang, Hao,Jiao, Minru,Guo, Zheng,Peng, Xinyan,Fu, Lei,Li, Jianqi. "Discovery of quinazolinyl-containing benzamides derivatives as novel HDAC1 inhibitors with in vitro and in vivo antitumor activities". . . Retrieved 2021/10/16.
• 2、 Lan, Ta Thu,Anh, Duong Tien,Pham-The, Hai,Dung, Do Thi Mai,Park, Eun Jae,Jang, Sun Dong,Kwon, Joo Hee,Kang, Jong Soon,Thuan, Nguyen Thi,Han, Sang-Bae,Nam, Nguyen-Hai. "Design, Synthesis and Bioevaluation of Two Series of 3-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]quinazolin-4(3H)-ones and N-(1-Benzylpiperidin-4-yl)quinazolin-4-amines". . . Retrieved 2020/07/06.