4-(aminomethyl)-N,N-dimethyloxan-4-amine

Base Information

• Chemical Name: 4-(aminomethyl)-N,N-dimethyloxan-4-amine
• CAS No.: 176445-80-0
• Molecular Formula: C8H18N2O
• Molecular Weight: 158.244
• Hs Code.: 2932990090
• European Community (EC) Number: 823-941-6
• DSSTox Substance ID: DTXSID60445291
• Wikidata: Q82263657
• Mol file: 176445-80-0.mol

Synonyms:176445-80-0;4-(Aminomethyl)-N,N-dimethyltetrahydro-2H-pyran-4-amine;4-(aminomethyl)-N,N-dimethyloxan-4-amine;4-Amino-4-(aminomethyl)-N,N-dimethyltetrahydropyran;(4-Aminomethyl-tetrahydro-pyran-4-yl)-dimethyl-amine;MFCD09065027;[4-(Aminomethyl)tetrahydro-2H-pyran-4-yl]-dimethylamine;2H-Pyran-4-methanamine,4-(dimethylamino)tetrahydro-;4-(Aminomethyl)-4-(dimethylamino)tetrahydro-2H-pyran;SCHEMBL1866074;DTXSID60445291;AMY19296;AC4735;AKOS005173831;PS-3532;SB34301;SY048103;BB 0256405;CS-0205565;FT-0684225;EN300-76905;A881519;2H-Pyran-4-methanamine, 4-(dimethylamino)tetrahydro-;Z440604732

Chemical Property of 4-(aminomethyl)-N,N-dimethyloxan-4-amine

Chemical Property:

• Vapor Pressure: 0.061mmHg at 25°C
• Refractive Index: 1.493
• Boiling Point: 231.952 °C at 760 mmHg
• PKA: 10.01±0.29(Predicted)
• Flash Point: 94.082 °C
• PSA: 38.49000
• Density: 0.99 g/cm³
• LogP: 0.75620
• Storage Temp.: 2-8°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.141913202
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

4-(aminomethyl)-N,N-dimethyltetrahydro-2H-pyran-4-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1(CCOCC1)CN

Technology Process of 4-(aminomethyl)-N,N-dimethyloxan-4-amine

There total 6 articles about 4-(aminomethyl)-N,N-dimethyloxan-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: 92.6%

4-(dimethylamino)tetrahydro-2H-pyran-4-carbonitrile (176445-77-5) → 4-(aminomethyl)-N,N-dimethyltetrahydro-2H-pyran-4-amine (176445-80-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 3h; Temperature;

Reference yield:

Tetrahydro-4H-pyran-4-one (29943-42-8,143562-54-3) → 4-(aminomethyl)-N,N-dimethyltetrahydro-2H-pyran-4-amine (176445-80-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / H₂O / Ambient temperature

2: 68 percent / LiAlH₄, H₂SO₄ / tetrahydrofuran / 1 h / 40 - 50 °C

With lithium aluminium tetrahydride; sulfuric acid; In tetrahydrofuran; water;

DOI:10.1016/0223-5234(96)89139-2

Reference yield:

C12H20N2O3 → 4-(aminomethyl)-N,N-dimethyltetrahydro-2H-pyran-4-amine (176445-80-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrogenchloride / water; tetrahydrofuran / 1 h / Cooling with ice

2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.17 h / Cooling with ice

2.2: 2 h

3.1: cobalt(II) chloride; sodium tetrahydroborate / methanol / 3 h / 60 °C / Cooling with ice

With hydrogenchloride; sodium tetrahydroborate; sodium hydride; cobalt(II) chloride; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

4-(dimethylamino)tetrahydro-2H-pyran-4-carbonitrile

Tetrahydro-4H-pyran-4-one

4-cyanotetrahydro-2H-pyran-4-carboxylic acid

tert-butyl (4-cyanotetrahydro-2H-pyran-4-yl)carbamate

Downstream raw materials:

N-[5-(2-amino-1-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-1H-benzimidazol-6-yl)-2-(methyloxy)-3-pyridinyl]-2,4-difluorobenzenesulfonamide

(2-amino-5-bromophenyl){[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}amine

5-(2-amino-1-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-1H-benzimidazol-6-yl)-N-(4-fluorophenyl)-2-(methyloxy)-3-pyridinesulfonamide

5-(2-amino-1-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-1H-benzimidazol-6-yl)-2-(methyloxy)-N-phenyl-3-pyridinesulfonamide

Refernces

• 1、 -. "Preparation method of benzamide derivative and application thereof". Paragraph 0051; 0055-0057; 0065; 0069-0071; 0083-0086. . Retrieved 2021/04/21.
• 2、 -. "NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF". Paragraph 0093-0094. . Retrieved 2014/10/16.