2-Amino-1-pyridin-4-yl-ethanone

Base Information

• Chemical Name: 2-Amino-1-pyridin-4-yl-ethanone
• CAS No.: 75140-34-0
• Molecular Formula: C₇H₈N₂O
• Molecular Weight: 136.153
• DSSTox Substance ID: DTXSID801305146
• ChEMBL ID: CHEMBL4565240
• Mol file: 75140-34-0.mol

Synonyms:2-amino-1-pyridin-4-yl-ethanone;75140-34-0;2-amino-1-(pyridin-4-yl)ethan-1-one;2-amino-1-(pyridin-4-yl)ethanone;SCHEMBL4758241;CHEMBL4565240;2-amino-1-pyridin-4-ylethanone;SVJIQXGHQJABJI-UHFFFAOYSA-N;2-Amino-1-(4-pyridinyl)ethanone;DTXSID801305146;AKOS006346764;SB38577;CS-0233932;FT-0746475;EN300-151002

Chemical Property of 2-Amino-1-pyridin-4-yl-ethanone

Chemical Property:

• PSA: 55.98000
• LogP: 0.92330
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 136.063662883
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-1-pyridin-4-yl-ethanone 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1C(=O)CN

Technology Process of 2-Amino-1-pyridin-4-yl-ethanone

There total 1 articles about 2-Amino-1-pyridin-4-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:

4-(bromoacetyl)pyridine (6221-13-2) → 2-amino-1-[4]pyridyl-ethanone (75140-34-0)

Guidance literature:

4-(bromoacetyl)pyridine; With hexamethylenetetramine; sodium iodide; In ethanol; for 24h;

With hydrogenchloride; In ethanol; for 5h; Reflux;

DOI:10.1016/j.bmcl.2016.03.043

Reference yield:

2-amino-1-[4]pyridyl-ethanone (75140-34-0) → 4-(2-Aminoethyl)pyridine (13258-63-4)

Guidance literature:

With hydrogenchloride; platinum; Hydrogenation;

DOI:10.1021/ja01225a017

Reference yield:

2-amino-1-[4]pyridyl-ethanone (75140-34-0) → C22H26N4O3

Guidance literature:

Multi-step reaction with 6 steps

1: sodium hydrogencarbonate / methanol / 12 h

2: hydroxylamine hydrochloride; pyridine / ethanol / 3 h

3: hydrogen; palladium 10% on activated carbon / methanol / 5 h / 2068.65 Torr

4: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dichloromethane / 12 h

5: hydrogenchloride / methanol / 12 h

6: sodium cyanoborohydride / methanol / 12 h

With pyridine; hydrogenchloride; palladium 10% on activated carbon; hydroxylamine hydrochloride; hydrogen; sodium cyanoborohydride; sodium hydrogencarbonate; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In methanol; ethanol; dichloromethane;

DOI:10.1016/j.bmcl.2016.03.043

upstream raw materials:

4-(bromoacetyl)pyridine

Downstream raw materials:

4-(2-Aminoethyl)pyridine

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