Oxan-4-ylmethylazanium;chloride

Base Information

• Chemical Name: Oxan-4-ylmethylazanium;chloride
• CAS No.: 389621-78-7
• Molecular Formula: C₆H₁₃NO*ClH
• Molecular Weight: 151.636
• Hs Code.: 2932999099
• Mol file: 389621-78-7.mol

Synonyms:

Chemical Property of Oxan-4-ylmethylazanium;chloride

Chemical Property:

• Melting Point: 180-185 °C
• PSA: 35.25000
• LogP: 1.87400
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.0763918
• Heavy Atom Count: 9
• Complexity: 59.5

Purity/Quality:

98% ^*data from raw suppliers

4-AminomethyltetrahydropyranHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCC1C[NH3+].[Cl-]
• Uses: 4-Aminomethyltetrahydropyran Hydrochloride is a reagent that is used in core modification in discovery of CC214-2 which is an orally available , selective inhibitor of mTOR kinase. 4-Aminomethyltetrahydropyran is also used as a reagent in the development of pyrazoloquinolines as PDE10A inhibitor for the treatment of schizophrenia.

Technology Process of Oxan-4-ylmethylazanium;chloride

There total 1 articles about Oxan-4-ylmethylazanium;chloride 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:

4-tetrahydropyranmethylamine (130290-79-8) → (tetrahydro-2H-pyran-4-yl)methanamine hydrochloride (389621-78-7)

Guidance literature:

With hydrogenchloride; In butan-1-ol; at 0 - 20 ℃; for 0.5h;

Reference yield: 72.3%

(tetrahydro-2H-pyran-4-yl)methanamine hydrochloride (389621-78-7) + 4-chlorobenzenesulfonyl chloride (98-60-2) → 4-chloro-N-((tetrahydro-2H-pyran-4-yl)methyl)benzenesulfonamide (1429647-68-6)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 20 ℃; for 16h;

Reference yield: 68.0%

2-((1-(4-(trifluoromethyl)benzyl)-3-((((4-(trifluoromethyl)benzyl)oxy)imino)methyl)-1H-indol-5-yl)oxy)acetic acid (1384275-74-4) + (tetrahydro-2H-pyran-4-yl)methanamine hydrochloride (389621-78-7) → N-((tetrahydro-2H-pyran-4-yl)methyl)-2-((1-(4-(trifluoromethyl)benzyl)-3-((((4-(trifluoromethyl)benzyl)oxy)imino)methyl)-1H-indol-5-yl)oxy)acetamide (1384275-75-5)

Guidance literature:

With N-ethylmorpholine;; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 25 ℃; for 5h; Inert atmosphere;

upstream raw materials:

4-tetrahydropyranmethylamine

Downstream raw materials:

4-chloro-N-((tetrahydro-2H-pyran-4-yl)methyl)benzenesulfonamide

N-((tetrahydro-2H-pyran-4-yl)methyl)-2-((1-(4-(trifluoromethyl)benzyl)-3-((((4-(trifluoromethyl)benzyl)oxy)imino)methyl)-1H-indol-5-yl)oxy)acetamide

Refernces