Quinolin-4-ylmethanamine

Base Information

• Chemical Name: Quinolin-4-ylmethanamine
• CAS No.: 5632-13-3
• Molecular Formula: C10H10N2
• Molecular Weight: 158.203
• Hs Code.: 2933499090
• European Community (EC) Number: 676-024-6
• ChEMBL ID: CHEMBL4060123
• Nikkaji Number: J36.419C
• Mol file: 5632-13-3.mol

Synonyms:quinolin-4-ylmethanamine;5632-13-3;C-QUINOLIN-4-YL-METHYLAMINE;(quinolin-4-ylmethyl)amine;CHEMBL4060123;4-Quinolinemethanamine;(Quinolin-4-yl)methanamine;4-Aminomethylquinoline;quinolin-4-ylmethylamine;quinolin-4-yl-methanamine;1-quinolin-4-ylmethanamine;SCHEMBL263790;QUINOLIN-4-YLMETHYL-AMIDE;QUINOLIN-4-YLMETHYL-AMINE;BVQGQPVMVBOTID-UHFFFAOYSA-N;4-aminomethylquinoline, AldrichCPR;BDBM50232695;AKOS011621686;AB11064;A8084;BB 0260233;CS-0270252;FT-0647866;EN300-99439

Chemical Property of Quinolin-4-ylmethanamine

Chemical Property:

• Vapor Pressure: 3.39E-05mmHg at 25°C
• Boiling Point: 319.958 °C at 760 mmHg
• PKA: 7.81±0.29(Predicted)
• Flash Point: 173.268 °C
• PSA: 38.91000
• Density: 1.157 g/cm³
• LogP: 2.39380
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

4-aminomethyl quinoline hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=N2)CN
• Uses: 4-Aminomethylquinoline Hydrochloride is used to prepare 2,4-Diaminoquinazolines and analogs to study their use as treatment for mycobacterial infections.

Technology Process of Quinolin-4-ylmethanamine

There total 11 articles about Quinolin-4-ylmethanamine 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: 94.0%

quinoline-4-carbonitrile (2973-27-5) → 1-quinolin-4-ylmethanamine (5632-13-3)

Guidance literature:

With hydrogen; In dichloromethane; at 35 ℃; for 0.75h; under 775.743 Torr;

DOI:10.1080/14786419.2019.1634709

Reference yield: 92.3%

(E)-quinoline-4-carbaldehyde Oxime (126921-64-0,39977-74-7) → 1-quinolin-4-ylmethanamine (5632-13-3)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In methanol; water; at 20 ℃;

DOI:10.2174/1573406412666151215105149

Reference yield: 63.0%

(E)-quinoline-4-carbaldehyde Oxime (126921-64-0,39977-74-7) → C6H4NCH2CHCCH2 (491-35-0) + 1-quinolin-4-ylmethanamine (5632-13-3)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; at 50 ℃; for 0.25h;

DOI:10.1002/prac.19943360811

upstream raw materials:

quinoline-4-carbonitrile

(E)-quinoline-4-carbaldehyde Oxime

hydrogenchloride

acetic acid

Downstream raw materials:

N-acetyl-sulfanilic acid-([4]quinolylmethyl-amide)

4-Guanidinomethylquinoline hydrochloride

4-(3-chloro-2-cyanophenoxy)-N-(4-quinolinylmethyl)benzenesulfonamide

4-(phenylmethyl)-N-(4-quinolinylmethyl)benzenesulfonamide

Refernces

• 1、 Jiao, Yu,Huang, Fei,Xu, Pengfei,Zhang, Yanmin,Yang, Shangyan,Zhang, Danfeng,Lu, Tao,Tang, Weifang. "Discovery and optimization of 1-(4-chloro-3-(trifluoromethyl)-phenyl)-3-(2-(amino)pyridin-3-yl)ureas as novel kdr kinase inhibitors". . p. 328 - 337. Retrieved 2016/07/06.
• 2、 -. "SULFONAMIDE ANTHELMINTICS". . . Retrieved 2014/07/08.