Methyl-d3-amine

Base Information

• Chemical Name: Methyl-d3-amine
• CAS No.: 5581-55-5
• Molecular Formula: CH2D3N
• Molecular Weight: 34.0336
• European Community (EC) Number: 687-220-6
• DSSTox Substance ID: DTXSID00369109
• Nikkaji Number: J276.311G
• Wikidata: Q82156141
• Mol file: 5581-55-5.mol

Synonyms:Methyl-d3-amine;trideuteriomethanamine;5581-55-5;Methan-d3-amine;(?H?)methanamine;(2H3)Methylamine;Methyl-d3-amine (gas);DTXSID00369109;BAVYZALUXZFZLV-FIBGUPNXSA-N;Methyl-d3-amine, 99 atom % D;CS-C-00107

Chemical Property of Methyl-d3-amine

Chemical Property:

• Vapor Pressure: 27 psi ( 20 °C)
• Melting Point: −93 °C(lit.)
• Refractive Index: 1.34
• Boiling Point: −6.3 °C(lit.)
• PSA: 26.02000
• Density: 0.699g/cm³
• LogP: 0.27520
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 34.061029402
• Heavy Atom Count: 2
• Complexity: 2

Purity/Quality:

99%, ^*data from raw suppliers

Methyl-d3-amine 99 atom % D ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T,F+
• Statements: 11-23-34-12
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN
• Isomeric SMILES: [2H]C([2H])([2H])N
• Uses: A dueterated isotope of Methylamine (M285560) a common chemical reagent used in the synthesis of 2-aminoquinolines as potent and selective inhibitors of neuronal nitric oxide synthase for neurodegenrative disorders.

Technology Process of Methyl-d3-amine

There total 1 articles about Methyl-d3-amine 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:

trimethylsilyl isothiocyanate (2290-65-5) → Methylamin-C-D3 (5581-55-5) + C,C-dideuterio-methylamine (47934-36-1) + C-deuterio-methylamine (20032-14-8) + methylamine (74-89-5)

Guidance literature:

With lithium aluminium tetrahydride; lithium aluminium deuteride;

DOI:10.1021/ja038343v

Reference yield: 75.0%

Methylamin-C-D3 (5581-55-5) + ethyl 6-(cyclopropanecarboxamido)-4-((2-methoxy-5-(3-methoxyazetidin-1-yl)-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)pyridazine-3-carboxylate → 6-(cyclopropanecarboxamido)-4-((2-methoxy-5-(3-methoxyazetidin-1-yl)-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)-N-(methyl-d3)pyridazine-3-carboxamide

Guidance literature:

With magnesium chloride; In tetrahydrofuran; at 20 - 30 ℃; for 2h;

Reference yield:

Methylamin-C-D3 (5581-55-5) + 2-Fluorobenzoyl chloride (393-52-2) → C8H5(2)H3FNO

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/acs.orglett.6b02784

upstream raw materials:

trimethylsilyl isothiocyanate

Downstream raw materials:

N-nitroso-N-trideuteriomethyl-urea

pentadeuterio-methylamine

C₁₁H₁₁⁽²⁾H₆NO₃

4-chloropyridinyl-2-(N-1',1',1'-trideuteromethylcarboxamide)