N-(1,2,3,4-Tetrahydroquinolin-3-YL)acetamide

Base Information

• Chemical Name: N-(1,2,3,4-Tetrahydroquinolin-3-YL)acetamide
• CAS No.: 945-80-2
• Molecular Formula: C₁₁H₁₄N₂O
• Molecular Weight: 190.245
• European Community (EC) Number: 867-890-8
• ChEMBL ID: CHEMBL4534853
• Mol file: 945-80-2.mol

Synonyms:N-(1,2,3,4-TETRAHYDROQUINOLIN-3-YL)ACETAMIDE;945-80-2;3-acetamido-1,2,3,4-tetrahydroquinoline;SCHEMBL4830429;CHEMBL4534853;HCEIEGOMGWEGOJ-UHFFFAOYSA-N;AKOS000151613;AKOS016902867;DB-339103;CS-0223243;EN300-114447;F83098;N-(1,2,3,4-Tetrahydro-quinolin-3-yl)-acetamide;3(R,S)-methylcarbonylamino-1,2,3,4-tetrahydroquinoline;Z285141302

Chemical Property of N-(1,2,3,4-Tetrahydroquinolin-3-YL)acetamide

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1CC2=CC=CC=C2NC1

Technology Process of N-(1,2,3,4-Tetrahydroquinolin-3-YL)acetamide

There total 4 articles about N-(1,2,3,4-Tetrahydroquinolin-3-YL)acetamide 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: 91.0%

N-(quinolin-3-yl)-acetamide (5417-50-5) → 3-Acetylamino-1,2,3,4-tetrahydrochinolin (945-80-2)

Guidance literature:

With sodium cyanoborohydride; acetic acid;

DOI:10.1016/S0960-894X(99)00523-5

Reference yield:

3-aminoquinoline (580-17-6) + N-(quinolin-3-yl)-acetamide (5417-50-5) + acetyl chloride (75-36-5) → 3-Acetylamino-1,2,3,4-tetrahydrochinolin (945-80-2)

Guidance literature:

With pyridine; In ice-water; ethanol; dichloromethane; palladium;

Reference yield:

3-aminoquinoline (580-17-6) → 3-Acetylamino-1,2,3,4-tetrahydrochinolin (945-80-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / pyridine

2: 91 percent / NaCNBH₃; AcOH

With pyridine; sodium cyanoborohydride; acetic acid; 1: Acetylation / 2: Hydrogenation;

DOI:10.1016/S0960-894X(99)00523-5

upstream raw materials:

N-(quinolin-3-yl)-acetamide

3-aminoquinoline

acetyl chloride