1-(1,4-dioxan-2-yl)-N-methylmethanamine

Base Information

• Chemical Name: 1-(1,4-dioxan-2-yl)-N-methylmethanamine
• CAS No.: 264254-04-8
• Molecular Formula: C₆H₁₃NO₂
• Molecular Weight: 131.175
• Hs Code.: 2921199090
• European Community (EC) Number: 842-580-5
• DSSTox Substance ID: DTXSID30394323
• Mol file: 264254-04-8.mol

Synonyms:264254-04-8;1-(1,4-dioxan-2-yl)-N-methylmethanamine;[1,4]dioxan-2-ylmethyl-methyl-amine;(1,4-dioxan-2-ylmethyl)methylamine;[1,4]Dioxan-2-ylmethylmethylamine;[(1,4-dioxan-2-yl)methyl](methyl)amine;(1,4-dioxan-2-ylmethyl)(methyl)amine;MFCD19220850;[1,4]dioxan-2-ylmethyl-methylamine;SCHEMBL2345572;DTXSID30394323;YYQGIBVMSBPIEC-UHFFFAOYSA-N;MFCD03990506;AKOS004911154;AB16898;BS-35880;SY224435;N-(1,4-Dioxan-2-ylmethyl)-N-methylamine;CS-0215339;FT-0690575;EN300-234971;(+/-)-N-methyl-N-(1,4-dioxan-2-ylmethyl)amine;A877233;F2184-0213

Chemical Property of 1-(1,4-dioxan-2-yl)-N-methylmethanamine

Chemical Property:

• Vapor Pressure: 0.681mmHg at 25°C
• Boiling Point: 185.9°C at 760 mmHg
• PKA: 9.41±0.10(Predicted)
• Flash Point: 65.9°C
• PSA: 30.49000
• Density: 0.972g/cm³
• LogP: 0.01210
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 131.094628657
• Heavy Atom Count: 9
• Complexity: 77.5

Purity/Quality:

98%min ^*data from raw suppliers

[1,4]Dioxan-2-ylmethyl-methyl-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1COCCO1

Technology Process of 1-(1,4-dioxan-2-yl)-N-methylmethanamine

There total 6 articles about 1-(1,4-dioxan-2-yl)-N-methylmethanamine 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-[(2R)-1,4-dioxan-2-yl]-N-methylmethanamine hydrochloride (917882-58-7) → (R)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (917942-74-6,264254-04-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; for 1h;

Reference yield:

Benzyl (1,4-dioxan-2-ylmethyl)methylcarbamate (1170702-74-5) → (R)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (917942-74-6,264254-04-8)

Guidance literature:

Multi-step reaction with 3 steps

1: n-heptane; isopropyl alcohol / Resolution of racemate

2: hydrogenchloride; hydrogen / palladium 10% on activated carbon / ethanol; water / 12 h

3: N-ethyl-N,N-diisopropylamine / dichloromethane / 1 h

With hydrogenchloride; hydrogen; N-ethyl-N,N-diisopropylamine; palladium 10% on activated carbon; In ethanol; n-heptane; dichloromethane; water; isopropyl alcohol;

Reference yield:

1-(1,4-dioxan-2-yl)-N-methylmethanamine hydrochloride (918621-33-7) → (R)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (917942-74-6,264254-04-8)

Guidance literature:

Multi-step reaction with 4 steps

1: triethylamine / dichloromethane / 12 h / 20 °C

2: n-heptane; isopropyl alcohol / Resolution of racemate

3: hydrogenchloride; hydrogen / palladium 10% on activated carbon / ethanol; water / 12 h

4: N-ethyl-N,N-diisopropylamine / dichloromethane / 1 h

With hydrogenchloride; hydrogen; triethylamine; N-ethyl-N,N-diisopropylamine; palladium 10% on activated carbon; In ethanol; n-heptane; dichloromethane; water; isopropyl alcohol;

upstream raw materials:

1-[(2R)-1,4-dioxan-2-yl]-N-methylmethanamine hydrochloride

methylamine

Benzyl (1,4-dioxan-2-ylmethyl)methylcarbamate

1-(1,4-dioxan-2-yl)-N-methylmethanamine hydrochloride

Downstream raw materials:

N-((2R)-1,4-dioxan-2-ylmethyl)-N-methyl-N’-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]sulfamide

MK-2461

Refernces

• 1、 Stewart, Gavin W.,Brands, Karel M. J.,Brewer, Sarah E.,Cowden, Cameron J.,Davies, Antony J.,Edwards, John S.,Gibson, Andrew W.,Hamilton, Simon E.,Katz, Jason D.,Keen, Stephen P.,Mullens, Peter R.,Scott, Jeremy P.,Wallace, Debra J.,Wise, Christopher S.. "Process development and large-scale synthesis of a c-Met kinase inhibitor". scheme or table. p. 849 - 858. Retrieved 2011/03/20.