(Tetrahydro-2H-pyran-3-yl)methanamine

Base Information

• Chemical Name: (Tetrahydro-2H-pyran-3-yl)methanamine
• CAS No.: 7179-99-9
• Molecular Formula: C6H14ClNO
• Molecular Weight: 115.175
• Hs Code.: 2932999099
• European Community (EC) Number: 816-034-1
• ChEMBL ID: CHEMBL4564133
• DSSTox Substance ID: DTXSID90587916
• Mol file: 7179-99-9.mol

Synonyms:(Tetrahydro-2H-pyran-3-yl)methanamine;7179-99-9;oxan-3-ylmethanamine;(oxan-3-yl)methanamine;C-(TETRAHYDRO-PYRAN-3-YL)-METHYLAMINE;3-(AMINOMETHYL)TETRAHYDRO-2H-PYRAN;(TETRAHYDRO-2H-PYRAN-3-YLMETHYL)AMINE;(3S)-Oxan-3-ylmethanamine;1-(Oxan-3-yl)methanamine;SCHEMBL481870;tetrahydropyran-3-ylmethylamine;Tetrahydropyran-3-ylmethanamine;CHEMBL4564133;DTXSID90587916;ZTCHEOLGUZDPAN-UHFFFAOYSA-N;(Tetrahydro-pyran-3-yl)methylamine;CS-D0477;MFCD07371526;AKOS000506126;AKOS016340742;PB23481;SB20267;SB20269;BS-12897;DB-055572;EN300-49546;P10450;(tetrahydro-2H-pyran-3-yl)methanamine;3-(Aminomethyl)tetrahydropyran

Chemical Property of (Tetrahydro-2H-pyran-3-yl)methanamine

Chemical Property:

• Vapor Pressure: 0.0825mmHg at 25°C
• Boiling Point: 222.6°C at 760 mmHg
• PKA: 9.96±0.29(Predicted)
• Flash Point: 88.4°C
• PSA: 35.25000
• Density: 0.942±0.06 g/cm3(Predicted)
• LogP: 1.07200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 65.5

Purity/Quality:

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

(Tetrahydro-2H-pyran-3-yl)methanamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(COC1)CN

Technology Process of (Tetrahydro-2H-pyran-3-yl)methanamine

There total 5 articles about (Tetrahydro-2H-pyran-3-yl)methanamine 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:

C6H11NO2 → (tetrahydro-2H-pyran-3-yl)methanamine (7179-99-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 16h; under 760.051 Torr;

Reference yield:

5,6-dihydro-2H-pyran-3-carbaldehyde oxime (71365-12-3) → (tetrahydro-2H-pyran-3-yl)methanamine (7179-99-9) + bis-tetrahydropyran-3-ylmethyl-amine (104850-24-0)

Guidance literature:

With ethanol; ammonia; nickel; at 150 ℃; under 110326 Torr; Hydrogenation;

Reference yield:

tetrahydro-pyran-3-carbaldehyde (77342-93-9) → (tetrahydro-2H-pyran-3-yl)methanamine (7179-99-9)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride / water; ethanol / 16 h / Reflux

2: palladium 10% on activated carbon; hydrogen / methanol / 16 h / 20 °C / 760.05 Torr

With palladium 10% on activated carbon; hydroxylamine hydrochloride; hydrogen; In methanol; ethanol; water;

upstream raw materials:

5,6-dihydro-2H-pyran-3-carbaldehyde oxime

5,6-dihydro-2H-pyran-3-carbaldehyde

tetrahydro-pyran-3-carbaldehyde

Downstream raw materials:

3-nitro-4-(((tetrahydro-2H-pyran-3-yl)methyl)amino)benzenesulfonamide

N-{4-[(tetrahydro-2H-pyran-3-ylmethyl)carbamoyl]phenyl}-1,3-dihydro-2H-isoindole-2-carboxamide

Refernces