1-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

Base Information

• Chemical Name: 1-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
• CAS No.: 76258-55-4
• Molecular Formula: C₁₁H₁₄N₂O
• Molecular Weight: 190.245
• DSSTox Substance ID: DTXSID80582753
• Wikidata: Q82474248

Synonyms:76258-55-4;1-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)ethanone;N-acetyl-8-amino-1,2,3,4 tetrahydroisoquinoline;Ethanone, 1-(8-amino-3,4-dihydro-2(1H)-isoquinolinyl)-;SCHEMBL2252826;DTXSID80582753;CLSCGHVIQPJPFG-UHFFFAOYSA-N;1-(8-AMINO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)ETHANONE;1-(8-Amino-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one

Chemical Property of 1-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

Chemical Property:

• PSA: 46.33000
• LogP: 1.69250
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

1-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)ethanone 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCC2=C(C1)C(=CC=C2)N

Technology Process of 1-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

There total 3 articles about 1-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)ethanone 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:

1,2,3,4-tetrahydroisoquinolin-5-amine (115955-90-3) + acetyl chloride (75-36-5) → 2-acetyl-1,2,3,4-tetrahydro-8-isoquinolineamine (76258-55-4) + N-(2-acetyl-1,2,3,4-tetrahydro-isoquinolin-8-yl)-acetamide (924633-50-1)

Guidance literature:

1,2,3,4-tetrahydroisoquinolin-5-amine; acetyl chloride; With sodium hydrogencarbonate; In dichloromethane; water; at 0 ℃; for 0.5h;

With methylamine hydrochloride; diisopropylamine; In dichloromethane; water;

Reference yield:

1,2,3,4-tetrahydroisoquinolin-5-amine (115955-90-3) + acetyl chloride (75-36-5) → 2-acetyl-1,2,3,4-tetrahydro-8-isoquinolineamine (76258-55-4) + C11H14N2O

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; at 0 ℃; for 0.5h;

Reference yield:

1,2,3,4-tetrahydro-8-isoquinolineamine (924633-49-8) + acetyl chloride (75-36-5) → 2-acetyl-1,2,3,4-tetrahydro-8-isoquinolineamine (76258-55-4) + N-(2-acetyl-1,2,3,4-tetrahydro-isoquinolin-8-yl)-acetamide (924633-50-1)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1021/jm060631p

upstream raw materials:

1,2,3,4-tetrahydro-8-isoquinolineamine

acetyl chloride

1,2,3,4-tetrahydroisoquinolin-5-amine

Downstream raw materials:

9-Benzyl-2-(4-chloro-benzyl)-3-hydroxy-7,8,9,10-tetrahydro-[1,9]phenanthroline-4-carboxylic acid

3-acetoxy-9-acetyl-2-(4-chloro-benzyl)-7,8,9,10-tetrahydro-[1,9]phenanthroline-4-carboxylic acid

2-(4-Chloro-benzyl)-3-hydroxy-9-isopropyl-7,8,9,10-tetrahydro-[1,9]phenanthroline-4-carboxylic acid

2-(4-Chloro-benzyl)-9-ethyl-3-hydroxy-7,8,9,10-tetrahydro-[1,9]phenanthroline-4-carboxylic acid

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