Dimethyl-[(2-oxocyclohexyl)methyl]azanium;chloride

Base Information

• Chemical Name: Dimethyl-[(2-oxocyclohexyl)methyl]azanium;chloride
• CAS No.: 42036-65-7
• Molecular Formula: C₉H₁₇NO*ClH
• Molecular Weight: 191.701
• Hs Code.: 29223900
• Mol file: 42036-65-7.mol

Synonyms:

Chemical Property of Dimethyl-[(2-oxocyclohexyl)methyl]azanium;chloride

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.102mmHg at 25°C
• Melting Point: 147-151 °C
• Boiling Point: 222.3 °C at 760 mmHg
• Flash Point: 70.2 °C
• PSA: 20.31000
• Density: 0.944 g/cm3
• LogP: 2.10930
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.1076919
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

99.9% ^*data from raw suppliers

2-(Bismethyl)aminomethylcyclohexanoneHydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[NH+](C)CC1CCCCC1=O.[Cl-]
• Uses: An impurity found in Tramadol (T712500).

Technology Process of Dimethyl-[(2-oxocyclohexyl)methyl]azanium;chloride

There total 4 articles about Dimethyl-[(2-oxocyclohexyl)methyl]azanium;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: 88.0%

N,N-dimethyl(methylene)ammonium chloride (30354-18-8) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-dimethylaminomethylcyclohexanone hydrochloride (42036-65-7,151777-85-4,151777-88-7)

Guidance literature:

In dichloromethane; for 16h; Ambient temperature;

Reference yield: 83.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylammonium chloride (506-59-2) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-dimethylaminomethylcyclohexanone hydrochloride (42036-65-7,151777-85-4,151777-88-7)

Guidance literature:

In ethanol; for 0.15h; microwave irradiation;

Reference yield:

1-(Trimethylsilyloxy)cyclohexene (6651-36-1) → 2-dimethylaminomethylcyclohexanone hydrochloride (42036-65-7,151777-85-4,151777-88-7)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂

2: aq. HCl

With hydrogenchloride; In dichloromethane;

DOI:10.1021/ja00437a058

upstream raw materials:

formaldehyd

N,N-dimethylammonium chloride

cyclohexanone

N,N-dimethyl(methylene)ammonium chloride

Downstream raw materials:

1-Chlor-2-dimethylaminomethyl-cyclohexen-⁽¹⁾

2-{[Ethyl-(1H-indol-3-ylmethyl)-amino]-methyl}-cyclohexanone

3,4,5,6,7,8-hexahydrospiro(chromen-2,1'-cyclohexane)-2'-one

(±)-(1R,2S)-2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexanol

Refernces

• 1、 -. "Opioid Detection". Paragraph 0009; 0078. . Retrieved 2017/07/14.
• 2、 Sielemann, Dirk,Keuper, Ralf,Risch, Nikolaus. "Efficient Preparation of Substituted 5,6,7,8-Tetrahydroquinolines and Octahydroacridine Derivatives". . p. 487 - 491. Retrieved 2007/10/03.