N,N-Dimethyl-N'-(3-methylpyridin-2-yl)formimidamide

Base Information

• Chemical Name: N,N-Dimethyl-N'-(3-methylpyridin-2-yl)formimidamide
• CAS No.: 36172-55-1
• Molecular Formula: C₉H₁₃N₃
• Molecular Weight: 163.222
• Hs Code.: 2933399090
• ChEMBL ID: CHEMBL1192133
• DSSTox Substance ID: DTXSID40508499
• Mol file: 36172-55-1.mol

Synonyms:36172-55-1;N,N-Dimethyl-N'-(3-methylpyridin-2-yl)formimidamide;N,N-Dimethyl-N'-(3-methylpyridin-2-yl)methanimidamide;CHEMBL1192133;DTXSID40508499

Chemical Property of N,N-Dimethyl-N'-(3-methylpyridin-2-yl)formimidamide

Chemical Property:

• PSA: 28.49000
• LogP: 1.61140
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 163.110947427
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

95+% ^*data from raw suppliers

N,N-Dimethyl-N'-(3-methylpyridin-2-yl)formimidamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=CC=C1)N=CN(C)C
• Isomeric SMILES: CC1=C(N=CC=C1)/N=C/N(C)C

Technology Process of N,N-Dimethyl-N'-(3-methylpyridin-2-yl)formimidamide

There total 2 articles about N,N-Dimethyl-N'-(3-methylpyridin-2-yl)formimidamide 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: 94.0%

3-methylpyridin-2-ylamine (1603-40-3) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → N,N-dimethyl-N′-(3-methylpyridin-2-yl)formimidamide (36172-55-1)

Guidance literature:

In toluene; for 6h; Heating;

DOI:10.1021/jm00119a026

Reference yield:

→ N,N-dimethyl-N′-(3-methylpyridin-2-yl)formimidamide (36172-55-1)

Guidance literature:

3-Methylpyridin, N,N-Dimethylformamid-dimethylacetal;

Reference yield: 87.0%

N,N-dimethyl-N′-(3-methylpyridin-2-yl)formimidamide (36172-55-1) → 8-methyl-[1,2,4]triazolo[1,5-a]pyridine (4931-18-4)

Guidance literature:

With hydroxylamine-O-sulfonic acid; In pyridine; methanol; for 1h; Ambient temperature;

DOI:10.1021/jo00328a028

upstream raw materials:

3-methylpyridin-2-ylamine

N,N-dimethyl-formamide dimethyl acetal

Downstream raw materials:

3-(4-hydroxybenzoyl)-8-methylimidazo<1,2-a>pyridine

8-methyl-[1,2,4]triazolo[1,5-a]pyridine

3-{4-[(dibutylamino)propoxy]benzoyl}-8-methylimidazo[1,2-a]pyridine

Refernces

• 1、 Ahmed, Saleh,Ayscough, Andrew,Barker, Greg R.,Canning, Hannah E.,Davenport, Richard,Downham, Robert,Harrison, David,Jenkins, Kerry,Kinsella, Natasha,Livermore, David G.,Wright, Susanne,Ivetac, Anthony D.,Skene, Robert,Wilkens, Steven J.,Webster, Natalie A.,Hendrick, Alan G.. "1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors with a Novel Monodentate Binding Interaction". supporting information. p. 5663 - 5672. Retrieved 2017/07/22.
• 2、 Sanfilippo,Urbanski,Press,Dubinsky,Moore Jr.. "Synthesis of (aryloxy)alkylamines. 2. Novel imidazo-fused heterocycles with calcium channel blocking and local anesthetic activity". . p. 2221 - 2227. Retrieved 2007/10/02.