4-Chloro-7-fluoroquinoline

Base Information

• Chemical Name: 4-Chloro-7-fluoroquinoline
• CAS No.: 391-82-2
• Molecular Formula: C9H5 Cl F N
• Molecular Weight: 181.597
• Hs Code.: 2933499090
• European Community (EC) Number: 826-926-2
• DSSTox Substance ID: DTXSID40569121
• Nikkaji Number: J1.022.132C
• Wikidata: Q82456194
• Mol file: 391-82-2.mol

Synonyms:4-Chloro-7-fluoroquinoline;391-82-2;4-Chloro-7-fluoro-quinoline;MFCD00153094;Quinoline, 4-chloro-7-fluoro-;7-fluoro-4-chloroquinoline;SCHEMBL856135;DTXSID40569121;TTXZTTXOYYOVEV-UHFFFAOYSA-N;AKOS005259766;AB04073;4-Chloro-7-fluoroquinoline, AldrichCPR;AC-28303;DS-17067;SY025477;AM20051139;CS-0096779;EN300-76521;A924293;Z1188338617

Chemical Property of 4-Chloro-7-fluoroquinoline

Chemical Property:

• Vapor Pressure: 0.0204mmHg at 25°C
• Melting Point: 73.5-74 °C
• Refractive Index: 1.626
• Boiling Point: 259.9°C at 760 mmHg
• PKA: 2.38±0.27(Predicted)
• Flash Point: 111°C
• PSA: 12.89000
• Density: 1.366g/cm³
• LogP: 3.02730
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 181.0094550
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99%, ^*data from raw suppliers

4-Chloro-7-fluoroquinoline ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=CN=C2C=C1F)Cl

Technology Process of 4-Chloro-7-fluoroquinoline

There total 9 articles about 4-Chloro-7-fluoroquinoline 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: 98.0%

7-fluoro-4-hydroxyquinoline (391-83-3) → 4-Chloro-7-fluoroquinoline (391-82-2)

Guidance literature:

With trichlorophosphate; at 70 ℃; for 3h;

Reference yield: 96.7%

7-fluoro-1,4-dihydroquinolin-4-one (391-83-3,183057-60-5) → 4-Chloro-7-fluoroquinoline (391-82-2)

Guidance literature:

With trichlorophosphate; for 2h; Reflux;

DOI:10.1016/j.ejmech.2019.05.088

Reference yield:

meta-fluoroaniline (372-19-0) → 4-Chloro-7-fluoroquinoline (391-82-2)

Guidance literature:

Multi-step reaction with 5 steps

1: 100 percent / 1 h / 90 - 110 °C

2: diphenyl ether / Heating

3: 2 N NaOH / Heating

4: diphenyl ether / 1 h / Heating

5: POCl₃ / 1.17 h / 100 - 110 °C

With sodium hydroxide; trichlorophosphate; In diphenylether;

DOI:10.1021/jm980146x

upstream raw materials:

7-fluoro-4-hydroxyquinoline

4,7-dichloroquinoline

meta-fluoroaniline

diethyl 2-(((3-fluorophenyl)amino)methylene)malonate

Downstream raw materials:

rac-N¹,N¹-diethyl-N⁴-(7-fluoroquinolin-4-yl)pentane-1,4-diamine

Refernces

• 1、 Su, Tong,Zhu, Jiongchang,Sun, Rongqin,Zhang, Huihui,Huang, Qiuhua,Zhang, Xiaodong,Du, Runlei,Qiu, Liqin,Cao, Rihui. "Design, synthesis and biological evaluation of new quinoline derivatives as potential antitumor agents". . p. 154 - 167. Retrieved 2019/06/11.
• 2、 Liu, Dan,Luan, Tian,Kong, Jian,Zhang, Ying,Wang, Hai-Feng. "Synthesis and anti-tumor activities of 4-anilinoquinoline derivatives". . . Retrieved 2016/02/05.