N-Methylmyosmine

Base Information

• Chemical Name: N-Methylmyosmine
• CAS No.: 525-74-6
• Molecular Formula: C10H12N2
• Molecular Weight: 160.219
• Hs Code.: 2933990090
• UNII: 71M43634R5
• DSSTox Substance ID: DTXSID50400839
• Nikkaji Number: J6.654K
• Wikidata: Q27265968
• Mol file: 525-74-6.mol

Synonyms:N-Methylmyosmine;525-74-6;3-(4,5-DIHYDRO-1-METHYL-1H-PYRROL-2-YL)PYRIDINE;Dihydro Nicotyrine;3-(1-methyl-2,3-dihydropyrrol-5-yl)pyridine;N-Methylmyosmine [MI];Dihydro Nicotyrine-d3;UNII-71M43634R5;3-(1-Methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridine;Pyridine, 3-(4,5-dihydro-1-methyl-1H-pyrrol-2-yl)-;71M43634R5;1246818-62-1;Dihydro Nicotyrine (>50%);SCHEMBL7588262;DTXSID50400839;CHEBI:190393;AKOS006278095;FT-0613634;C21154;Q27265968

Chemical Property of N-Methylmyosmine

Chemical Property:

• Vapor Pressure: 0.00103mmHg at 25°C
• Refractive Index: 1.572
• Boiling Point: 301.8°Cat760mmHg
• Flash Point: 136.3°C
• PSA: 16.13000
• Density: 1.079g/cm³
• LogP: 1.69590
• Storage Temp.: -86°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.100048391
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

DihydroNicotyrine(>50%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCC=C1C2=CN=CC=C2
• Uses: A metabolite of 4-(Methyl-nitrosamino)-1-(3-pyridyl)-1-butanone. FOR SHIPMENT IN NORTH AMERICA ONLY A metabolite of Nicotine (N412420). Conversion of Nicotine into Nornicotine and N-Methylmyosmine by fungi. A metabolite of Nicotine (N412420). Conversion of Nicotine into Nornicotine and N-Methylmyosmine by fungi.FOR SHIPMENT IN NORTH AMERICA ONLY.

Technology Process of N-Methylmyosmine

There total 2 articles about N-Methylmyosmine 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: 1.05%

3-(1-methyl-pyrrolidin-2-yl)-pyridine (22083-74-5) → Myosmine (532-12-7) + N-methylmyosmine (525-74-6) + nicotirine (487-19-4) + cotinine (15569-85-4) + 3-(1-Methyl-2,3-dihydro-1H-pyrrol-2-yl)-pyridine

Guidance literature:

With 9,10-Dicyanoanthracene; oxygen; In acetonitrile; for 22h; Mechanism; Irradiation; also TiO₂ as electron acceptor, in absence of O₂;

Reference yield:

nicotin (54-11-5) → N-methylmyosmine (525-74-6) + nornicotine (494-97-3,13450-58-3)

Guidance literature:

In water; at 28 ℃; for 120h; Product distribution; Cunninghamella echinulata IFO-4444; other times, other fungi;

DOI:10.1080/00021369.1983.10865908

Reference yield: 90.0%

N-methylmyosmine (525-74-6) → 3-(1-methyl-pyrrolidin-2-yl)-pyridine (22083-74-5)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 20 ℃; under 7500.75 Torr; Autoclave;

upstream raw materials:

3-(1-methyl-pyrrolidin-2-yl)-pyridine

nicotin

Downstream raw materials:

nicotirine

3-(1-methyl-pyrrolidin-2-yl)-pyridine