N-methyltetrahydro-2H-pyran-4-amine

Base Information

• Chemical Name: N-methyltetrahydro-2H-pyran-4-amine
• CAS No.: 220641-87-2
• Molecular Formula: C6H13NO
• Molecular Weight: 115.175
• Hs Code.: 2932990090
• European Community (EC) Number: 640-901-1
• DSSTox Substance ID: DTXSID70426293
• Nikkaji Number: J3.086.993A
• Wikidata: Q82239239
• ChEMBL ID: CHEMBL4521491
• Mol file: 220641-87-2.mol

Synonyms:220641-87-2;N-methyltetrahydro-2H-pyran-4-amine;N-methyloxan-4-amine;Methyl-(tetrahydro-pyran-4-yl)-amine;n-methyl-n-tetrahydro-2h-pyran-4-ylamine;4-(METHYLAMINO)TETRAHYDROPYRAN;n-methyl-tetrahydro-2h-pyran-4-amine;MFCD06658492;2H-PYRAN-4-AMINE, TETRAHYDRO-N-METHYL-;TETRAHYDRO-N-METHYL-2H-PYRAN-4-AMINE;4-(methylamino)tetrahydro-2h-pyran;SCHEMBL21532;N-methyl-4-aminotetrahydropyran;N-methyltetrahydropyran-4-amine;CHEMBL4521491;DTXSID70426293;WGYZZCUTSHNMET-UHFFFAOYSA-N;CS-D1570;(tetrahydro-pyran-4-yl)-methylamine;Methyltetrahydro-2H-pyran-4-ylamine;AB1551;N-methyl-4-aminotetrahydro-2H-pyran;STK500775;AKOS005170892;N-methyltetrahydro-2H-pyran-4-ylamine;methyl(tetrahydro-2H-pyran-4-yl)amine;PB29392;PS-3284;SB10087;NCGC00374118-01;BP-11212;N-Methyl-N-tetrahydro-2H-pyran-4ylamine;SY013416;A4747;BB 0255126;FT-0648490;N-methyl-N-(tetrahydro-2H-pyran-4-yl)amine;EN300-43332;N-Methyltetrahydro-2H-pyran-4-amine, AldrichCPR;J-014461;J-523734;Z440603550;N-methyl-tetrahydro-2H-pyran-4-amine;N-Methyltetrahydro-2H-pyran-4-amine

Chemical Property of N-methyltetrahydro-2H-pyran-4-amine

Chemical Property:

• Vapor Pressure: 1.91mmHg at 25°C
• Refractive Index: 1.448
• Boiling Point: 165 °C at 760 mmHg
• PKA: 10.01±0.20(Predicted)
• Flash Point: 56.1 °C
• PSA: 21.26000
• Density: 0.93 g/cm³
• LogP: 0.77570
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 59.5

Purity/Quality:

97% ^*data from raw suppliers

Methyl-(tetrahydro-pyran-4-yl)-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1CCOCC1

Technology Process of N-methyltetrahydro-2H-pyran-4-amine

There total 2 articles about N-methyltetrahydro-2H-pyran-4-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:

N-[(4-nitrophenyl)methyl]tetrahydro-N-methyl-2H-pyran-4-amine (229007-08-3) → N-methyl-N-(tetrahydropyran-4-yl)amine (220641-87-2) + p-toluidine (106-49-0,12221-03-3)

Guidance literature:

With hydrogen; Reagent/catalyst;

DOI:10.1021/op010052o

Reference yield:

4-[N-(tetrahydropyran-4-yl)aminomethyl]-nitrobenzene (874888-66-1) → N-methyl-N-(tetrahydropyran-4-yl)amine (220641-87-2) + p-toluidine (106-49-0,12221-03-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tris(acetoxy)borohydride

2: hydrogen

With hydrogen; sodium tris(acetoxy)borohydride;

DOI:10.1021/op010052o

Reference yield: 99.0%

N-methyl-N-(tetrahydropyran-4-yl)amine (220641-87-2) + 4-bromobenzenesulfonyl chloride (98-58-8) → 4-bromo-N-methyl-N-(tetrahydro-2H-pyran-4-yl)benzenesulfonamide (1184435-31-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 20h;

upstream raw materials:

4-[N-(tetrahydropyran-4-yl)aminomethyl]-nitrobenzene

N-[(4-nitrophenyl)methyl]tetrahydro-N-methyl-2H-pyran-4-amine

Downstream raw materials:

N-methyl-N-(tetrahydropyran-4-yl)carbamoyl chloride

C₂₄H₃₀F₃N₃O₄

2-Ethylsulfanyl-N-[(3-fluorophenyl)-methyl]-4-methyl-6-(methyl-tetrahydro-pyran-4-yl-amino)-pyridine-3-carboxylic acid amide

2,4-difluoro-N-(2-methyl-5-{4-methyl-6-[methyl-(tetrahydropyran-4-yl)-amino]-pyrimidin-5-ylethynyl}-pyridin-3-yl)-benzenesulfonamide