3-(aminomethyl)pyridin-2(1H)-one hydrochloride

Base Information

• Chemical Name: 3-(aminomethyl)pyridin-2(1H)-one hydrochloride
• CAS No.: 85468-38-8
• Molecular Formula: C₆H₈N₂O*ClH
• Molecular Weight: 160.603
• European Community (EC) Number: 846-740-5
• DSSTox Substance ID: DTXSID90511397
• Mol file: 85468-38-8.mol

Synonyms:85468-38-8;3-(aminomethyl)pyridin-2(1H)-one hydrochloride;3-(Aminomethyl)pyridin-2-ol hydrochloride;3-(Aminomethyl)-2(1H)-pyridinone Hydrochloride;3-(aminomethyl)-1H-pyridin-2-one;hydrochloride;3-(aminomethyl)-1H-pyridin-2-one hydrochloride;MFCD12035456;3-(aminomethyl)-1,2-dihydropyridin-2-one hydrochloride;2-hydroxy-3-(aminomethyl)pyridine hydrochloride;2-hydroxy-3-(aminomethyl)pyridine hcl;3-(AMINOMETHYL)PYRIDIN-2-OL HCL;3-(aminomethyl)pyridin-2(1h)-onehydrochloride;DTXSID90511397;AKOS015891511;AKOS024015914;SB76652;DS-16551;SY199840;CS-0186713;FT-0657309;EN300-204161;3-(Aminomethyl)pyridine-2(1H)-one hydrochloride;A841337;F2147-1264;Z2692093992;3-(Aminomethyl)pyridin-2(1H)-one--hydrogen chloride (1/1)

Chemical Property of 3-(aminomethyl)pyridin-2(1H)-one hydrochloride

Chemical Property:

• Melting Point: 181-184 °C
• PSA: 58.88000
• LogP: 1.33590
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.0403406
• Heavy Atom Count: 10
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

3-(Aminomethyl)pyridin-2(1H)-onehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC(=O)C(=C1)CN.Cl
• Uses: 3-(Aminomethyl)-2(1H)-pyridinone is an intermediate used in the preparation of dihydroindenyl piperazinediones as Oxytocin (O878500) receptor antagonists. They are used for the treatment of dysmenorrhea, pre-term labor and endometriosis.

Technology Process of 3-(aminomethyl)pyridin-2(1H)-one hydrochloride

There total 1 articles about 3-(aminomethyl)pyridin-2(1H)-one hydrochloride 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: 63.0%

pyrid-2-one-3-carbonitrile (20577-27-9,5657-63-6) → 3-Aminomethyl-1H-pyridin-2-one; hydrochloride (85468-38-8)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol;

Reference yield:

3,5-dimethylbenzoic acid (499-06-9) + 3-Aminomethyl-1H-pyridin-2-one; hydrochloride (85468-38-8) → 3-(3,5-dimethylbenzoylaminomethyl)-2-pyridone (85468-36-6)

Guidance literature:

With chloroformic acid ethyl ester; triethylamine; Yield given. Multistep reaction; 1) acetone, 10 deg C, 1 h, 2) aq. acetone, r.t., 1 h;

upstream raw materials:

pyrid-2-one-3-carbonitrile

Downstream raw materials:

3-(3,5-dimethylbenzoylaminomethyl)-2-pyridone