4-(2-Aminoethyl)tetrahydropyran

Base Information

• Chemical Name: 4-(2-Aminoethyl)tetrahydropyran
• CAS No.: 65412-03-5
• Molecular Formula: C7H15 N O
• Molecular Weight: 129.202
• Hs Code.: 29339900
• European Community (EC) Number: 805-277-9
• DSSTox Substance ID: DTXSID20378278
• Wikidata: Q72436987
• Mol file: 65412-03-5.mol

Synonyms:4-(2-Aminoethyl)tetrahydropyran;65412-03-5;4-(2-Aminoethyl)tetrahydro-2H-pyran;2-(oxan-4-yl)ethanamine;2-(oxan-4-yl)ethan-1-amine;2-(tetrahydro-2H-pyran-4-yl)ethanamine;4-Aminoethyl-tetrahydropyrane;2H-PYRAN-4-ETHANAMINE, TETRAHYDRO-;2-(TETRAHYDRO-PYRAN-4-YL)-ETHYLAMINE;MFCD02179433;4-(AMINOETHYL)TETRAHYDROPYRAN;2-tetrahydropyran-4-ylethanamine;2-(tetrahydro-pyran-4-yl)ethylamine;4-Aminoethyl-tetrahydropyran;SCHEMBL54945;DTXSID20378278;BZMADPOGYCRPAI-UHFFFAOYSA-N;4-(2-aminoethyl)-tetrahydropyrane;2-(tetrahydropyran-4-yl)ethylamine;2-(tetrahydropyran-4-yl)-ethyl-amine;AKOS005217309;CS-W002907;PB34023;PS-3294;4-(2-AMINOETHYL)TETRAHYDROPYRANE;SY025283;4-(2-aminoethyl)tetrahydropyran, AldrichCPR;AM20100593;BB 0254856;FT-0641018;EN300-77515;A835105;J-513277;J-650328;Z851015130

Chemical Property of 4-(2-Aminoethyl)tetrahydropyran

Chemical Property:

• Vapor Pressure: 0.324mmHg at 25°C
• Boiling Point: 88-89°C 13mm 200.5 °C at 760 mmHg
• PKA: 10.34±0.10(Predicted)
• Flash Point: 74.2 °C
• PSA: 35.25000
• Density: 0.931±0.06 g/cm3(Predicted)
• LogP: 1.46210
• Storage Temp.: Keep Cold
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 69.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(2-Aminoethyl)tetrahydropyran(~90%) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-41-37/38
• Safety Statements: 26-36/37/39-39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCC1CCN
• Uses: 4-(2-Aminoethyl)tetrahydropyran is a useful pharmaceutical intermediate.

Technology Process of 4-(2-Aminoethyl)tetrahydropyran

There total 5 articles about 4-(2-Aminoethyl)tetrahydropyran 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: 76.1%

2-(tetrahydro-2H-pyran-4-yl)acetonitrile (850429-50-4) → 4-(2-aminoethyl)tetrahydropyran (65412-03-5)

Guidance literature:

With palladium on activated charcoal; hydrogen; In ethanol; at 25 ℃; for 12h; under 7500.75 Torr; Concentration; Pressure;

Reference yield:

Tetrahydro-4H-pyran-4-one (29943-42-8,143562-54-3) + diethyl 1-cyanomethylphosphonate (2537-48-6) → 4-(2-aminoethyl)tetrahydropyran (65412-03-5)

Guidance literature:

Reference yield:

4-chlorotetrahydro-2H-pyran (1768-64-5) → 4-(2-aminoethyl)tetrahydropyran (65412-03-5)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium tert-butylate / toluene / 24 h / 50 - 110 °C

2: sodium chloride / water; dimethyl sulfoxide / 8 h / 150 °C

3: hydrogen; palladium on activated charcoal / ethanol / 12 h / 25 °C / 7500.75 Torr

With palladium on activated charcoal; potassium tert-butylate; hydrogen; sodium chloride; In ethanol; water; dimethyl sulfoxide; toluene;

upstream raw materials:

3-(tetrahydro-2H-pyran-4-yl)propanoic acid

Tetrahydro-4H-pyran-4-one

diethyl 1-cyanomethylphosphonate

4-chlorotetrahydro-2H-pyran

Downstream raw materials:

4-(2-oxo-3-(2-(tetrahydro-2H-pyran-4-yl)ethyl)-2,3-dihydro-1H-imidazo[4,5-b]pyrazin-5-yl)benzamide

(E)-N-((dimethylamino)methylene)-4-(2-oxo-3-(2-(tetrahydro-2H-pyran-4-yl)ethyl)-2,3-dihydro-1H-imidazo[4,5-b]pyrazin-5-yl)benzamide

6-(4-(1H-1,2,4-triazol-3-yl)phenyl)-1-(2-(tetrahydro-2H-pyran-4-yl)ethyl)-1H-imidazo[4,5-b]pyrazin-2(3H)-one

C₂₇H₃₀N₂O₄

Refernces

• 1、 -. "Diagnostic uses of 2-substituted adenosine carboxamides". . . Retrieved 2008/06/13.
• 2、 -. "IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS CARDIOVASCULAR AGENTS". . . Retrieved 2008/06/13.