BF-170 hydrochloride

Base Information

• Chemical Name: BF-170 hydrochloride
• CAS No.: 22191-97-5
• Molecular Formula: C15H12 N2
• Molecular Weight: 220.274
• Hs Code.: 2933499090
• European Community (EC) Number: 636-575-5
• ChEMBL ID: CHEMBL1255755
• DSSTox Substance ID: DTXSID70944846
• Mol file: 22191-97-5.mol

Synonyms:BF-170 hydrochloride;NSC 168387 hydrochloride;2-(4-aminophenyl)quinoline hydrochloride;SCHEMBL2487558;CHEMBL1255755;DTXSID70944846;Tox21_500977;MFCD08705340;CCG-222281;LP00977;NCGC00094277-01;NCGC00261662-01;4-(2-Quinolinyl)aniline hydrochloride (1:1);BF-170 hydrochloride, >=98% (HPLC), solid

Chemical Property of BF-170 hydrochloride

Chemical Property:

• Vapor Pressure: 6.6E-07mmHg at 25°C
• Boiling Point: 409.2°Cat760mmHg
• Flash Point: 230.4°C
• PSA: 38.91000
• Density: 1.194g/cm³
• LogP: 4.06520
• Storage Temp.: ?20°C
• Solubility.: H2O: soluble10mg/mL
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 256.0767261
• Heavy Atom Count: 18
• Complexity: 245

Purity/Quality:

98.5% ^*data from raw suppliers

BF-170 hydrochloride ≥98% (HPLC), solid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC(=N2)C3=CC=C(C=C3)N.Cl

Technology Process of BF-170 hydrochloride

There total 22 articles about BF-170 hydrochloride 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: 92.0%

2-Aminobenzyl alcohol (5344-90-1) + p-aminobenzophenone (99-92-3) → 2-[4-aminophenyl]quinoline (22191-97-5)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; potassium carbonate; In tetrahydrofuran; at 20 ℃; for 10h;

Reference yield: 90.0%

p-aminobenzophenone (99-92-3) + ortho-bromobenzaldehyde (6630-33-7) → 2-[4-aminophenyl]quinoline (22191-97-5)

Guidance literature:

With choline azide; caesium carbonate; at 85 ℃; for 8h; Green chemistry;

DOI:10.1002/aoc.5760

Reference yield: 84.0%

4-Ethynylaniline (14235-81-5) + o-aminobenzaldehyde (529-23-7) → 2-[4-aminophenyl]quinoline (22191-97-5)

Guidance literature:

With silver trifluoromethanesulfonate; aniline; In tetrahydrofuran; 1,2-dichloro-ethane; at 80 ℃; for 3h;

DOI:10.1016/j.tetlet.2010.12.102

upstream raw materials:

2-(4'-aminophenyl)-4-quinolinecarboxylic acid

quinoline hydrochloride

aniline

4-bromo-aniline

Downstream raw materials:

(R)-2-(4-aminophenyl)-1,2,3,4-tetrahydroquinoline

2-(4-hydroxyphenyl)quinoline

Refernces

• 1、 Esfandiary, Naghmeh,Heydari, Akbar. "Fe2O3@[proline]–CuMgAl–LDH: A magnetic bifunctional copper and organocatalyst system for one-pot synthesis of quinolines and 2H-indazoles in green media". . . Retrieved 2020/05/25.
• 2、 Chakraborty, Gargi,Sikari, Rina,Das, Siuli,Mondal, Rakesh,Sinha, Suman,Banerjee, Seemika,Paul, Nanda D.. "Dehydrogenative Synthesis of Quinolines, 2-Aminoquinolines, and Quinazolines Using Singlet Diradical Ni(II)-Catalysts". . p. 2626 - 2641. Retrieved 2019/02/26.