4-Aminoquinaldine

Base Information

• Chemical Name: 4-Aminoquinaldine
• CAS No.: 6628-04-2
• Molecular Formula: C10H10N2
• Molecular Weight: 158.203
• Hs Code.: 29334900
• European Community (EC) Number: 229-604-4
• NSC Number: 60281
• UNII: 5YZ7028HHH
• DSSTox Substance ID: DTXSID50216477
• Nikkaji Number: J58.017A
• Wikidata: Q27462921
• ChEMBL ID: CHEMBL595536
• Mol file: 6628-04-2.mol

Synonyms:4-amino-2-methylquinoline;4-aminoquinaldine;4-AQ(A)

Chemical Property of 4-Aminoquinaldine

Chemical Property:

• Appearance/Colour: Slightly beige to light yellow powder
• Vapor Pressure: 0.000203mmHg at 25°C
• Melting Point: 162-166 °C(lit.)
• Refractive Index: 1.7080 (estimate)
• Boiling Point: 327.4 °C at 760 mmHg
• PKA: 9.40±0.50(Predicted)
• Flash Point: 178 °C
• PSA: 38.91000
• Density: 1.169 g/cm³
• LogP: 2.70660
• Solubility.: soluble in Methanol
• Water Solubility.: Soluble in water.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

99.9% ^*data from raw suppliers

4-?Aminoquinaldine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2C(=C1)N
• Uses: 4-Amino-2-methylquinoline is used as a pharmaceutical intermediate.

Technology Process of 4-Aminoquinaldine

There total 26 articles about 4-Aminoquinaldine 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: 99.0%

4-chloro-2-methylquinoline (4295-06-1) → 4-amino-2-methylquinoline (6628-04-2)

Guidance literature:

With 2-((dicyclohexylphosphino)methyl)-1,3-bis(2,6-diisopropylphenyl)-4,5-dimethyl-1H-imidazol-3-ium iodide; ammonia; palladium diacetate; sodium t-butanolate; In 1,4-dioxane; at 120 ℃; for 24h; under 7500.75 Torr; Autoclave; Inert atmosphere;

DOI:10.1002/chem.201100984

Reference yield: 98.0%

tert-butyl (2-methylquinolin-4-yl)carbamate (147147-59-9) → 4-amino-2-methylquinoline (6628-04-2)

Guidance literature:

With H-β zeolite; In dichloromethane; for 7h; Heating;

Reference yield: 92.0%

N-(diphenylmethylene)-2-methylquinolin-4-amine → 4-amino-2-methylquinoline (6628-04-2)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 20 ℃;

DOI:10.1021/acs.orglett.7b00556

upstream raw materials:

4-hydrazino-2-methylquinoline

4-chloro-2-methylquinoline

acetone

anthranilic acid nitrile

Downstream raw materials:

N-tert-Butyl-N'-(2-methyl-quinolin-4-yl)-N''-thiophen-2-yl-guanidine

N-tert-Butyl-N'-(2-methyl-quinolin-4-yl)-N''-pyridin-2-yl-guanidine

N-tert-butyl-N''-4-(2-methylquinolyl)-N'-2-thiazolylguanidine

N-tert-butyl-N'-(2-methyl-quinolin-4-yl)-N''-pyrazin-2-yl-guanidine