(3S)-oxolan-3-ylmethanamine hydrochloride

Base Information

• Chemical Name: (3S)-oxolan-3-ylmethanamine hydrochloride
• CAS No.: 1048962-84-0
• Molecular Formula: C5H11NO
• Molecular Weight: 101.15
• European Community (EC) Number: 849-709-4
• DSSTox Substance ID: DTXSID00857238
• Mol file: 1048962-84-0.mol

Synonyms:1403763-27-8;(3S)-oxolan-3-ylmethanamine hydrochloride;(S)-1-TETRAHYDROFURAN-3-YLMETHANAMINE HYDROCHLORIDE;[(3S)-oxolan-3-yl]methanamine;hydrochloride;(S)-(Tetrahydrofuran-3-yl)methanamine hydrochloride;(S)-(TETRAHYDROFURAN-3-YL)METHANAMINE HCL;(S)-1-(Tetrahydro-furan-3-yl)-methylamine hydrochloride;SCHEMBL21408413;DTXSID00857238;(3S)-oxolan-3-ylmethanamine HCl;MFCD20526350;AKOS025290805;AS-38913;(S)-1-Tetrahydrofuran-3-ylmethanamine HCl;[(3S)-oxolan-3-yl]methanamine hydrochloride;CS-0053252;EN300-7417183;(S)-(Tetrahydrofuran-3-yl)methanaminehydrochloride;1-[(3S)-Oxolan-3-yl]methanamine--hydrogen chloride (1/1)

Chemical Property of (3S)-oxolan-3-ylmethanamine hydrochloride

Chemical Property:

• Boiling Point: 156.0±13.0 °C(Predicted)
• PKA: 9.96±0.29(Predicted)
• PSA: 35.25000
• Density: 0.967
• LogP: 0.68190
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.0607417
• Heavy Atom Count: 8
• Complexity: 56

Purity/Quality:

97% ^*data from raw suppliers

(S)-1-Tetrahydrofuran-3-ylmethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC1CN.Cl
• Isomeric SMILES: C1COC[C@@H]1CN.Cl

Technology Process of (3S)-oxolan-3-ylmethanamine hydrochloride

There total 32 articles about (3S)-oxolan-3-ylmethanamine hydrochloride 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: 99.5%

tetrahydrofuran-3-carboxaldehyde (79710-86-4) → (tetrahydro-3-furanyl)methylamine (165253-31-6,1048962-84-0)

Guidance literature:

With ammonia; hydrogen; In methanol; at 60 ℃; for 12h; under 30003 Torr; Pressure; Reagent/catalyst; Temperature;

Reference yield: 99.4%

3-(nitromethyl)tetrahydrofuran → (tetrahydro-3-furanyl)methylamine (165253-31-6,1048962-84-0)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 2h; under 15001.5 Torr; Reagent/catalyst; Pressure;

Reference yield: 99.0%

N-[(oxolan-3-yl)methylidene]hydroxylamine (79710-87-5) → (tetrahydro-3-furanyl)methylamine (165253-31-6,1048962-84-0)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 100 ℃; under 22502.3 Torr; Concentration; Reagent/catalyst; Solvent; Pressure; Temperature; Autoclave; Large scale;

upstream raw materials:

3-cyanotetrahydrofuran

2-(tetrahydrofuran-3-ylmethyl)-isoindole-1,3-dione

N-[(oxolan-3-yl)methylidene]hydroxylamine

2-nitromethyl-1,4-diethyl succinate

Downstream raw materials:

NH-pyrazole

dinetofuran

3,5-dimethyl-1H-pyrazole