3-Methyl-3,8-diazabicyclo[3.2.1]octane

Base Information

• Chemical Name: 3-Methyl-3,8-diazabicyclo[3.2.1]octane
• CAS No.: 52407-92-8
• Molecular Formula: C₇H₁₄N₂*2ClH
• Molecular Weight: 199.123
• Hs Code.: 2933990090
• European Community (EC) Number: 805-992-6
• DSSTox Substance ID: DTXSID60495312
• Mol file: 52407-92-8.mol

Synonyms:3-Methyl-3,8-diazabicyclo[3.2.1]octane;51102-41-1;3-METHYL-3,8-DIAZA-BICYCLO[3.2.1]OCTANE;3-METHYL-3,8-DIAZABICYCLO[3,2,1]OCTANE;3,8-Diazabicyclo[3.2.1]octane, 3-methyl-;SCHEMBL50733;DTXSID60495312;OQMSHITZFTVBHN-UHFFFAOYSA-N;AMY33748;MFCD23102152;SB11256;CS-0046686;FT-0769734;EN300-114836;A871373;J-512848

Chemical Property of 3-Methyl-3,8-diazabicyclo[3.2.1]octane

Chemical Property:

• Vapor Pressure: 0.00709mmHg at 25°C
• Boiling Point: 265.6°C at 760 mmHg
• Flash Point: 114.4°C
• PSA: 15.27000
• LogP: 1.92310
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.115698455
• Heavy Atom Count: 9
• Complexity: 102

Purity/Quality:

98%Min ^*data from raw suppliers

3-Methyl-3,8-diaza-bicyclo[3.2.1]octanedihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC2CCC(C1)N2

Technology Process of 3-Methyl-3,8-diazabicyclo[3.2.1]octane

There total 3 articles about 3-Methyl-3,8-diazabicyclo[3.2.1]octane 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: 91.0%

8-benzyl-3-methyl-3,8-diaza-bicyclo[3.2.1]octane (57727-91-0) → 3-methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride (52407-92-8)

Guidance literature:

8-benzyl-3-methyl-3,8-diaza-bicyclo[3.2.1]octane; With hydrogen; palladium(II) hydroxide/carbon; In methanol; water; for 17h; under 3863.02 Torr;

With hydrogenchloride; In methanol; diethyl ether; benzene;

Reference yield: 91.0%

3-methyl-8-(phenylmethyl)-3,8-diazabicyclo[3.2.1]octane → (1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]octane bishydrochloride (52407-92-8)

Guidance literature:

3-methyl-8-(phenylmethyl)-3,8-diazabicyclo[3.2.1]octane; With hydrogenchloride; hydrogen; palladium(II) hydroxide/carbon; In methanol; water; for 17h; under 3863.02 Torr;

With hydrogenchloride; In methanol; diethyl ether; benzene;

Reference yield:

cis-1-Benzyl-2,5-bis(chloromethyl)pyrrolidine Hydrochloride (208115-18-8) → (1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]octane bishydrochloride (52407-92-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogencarbonate; sodium iodide / water; acetonitrile / 1.33 h / 50 - 70 °C

2: hydrogenchloride; hydrogen / palladium(II) hydroxide/carbon / methanol; water / 17 h / 3863.02 Torr

With hydrogenchloride; hydrogen; sodium hydrogencarbonate; sodium iodide; palladium(II) hydroxide/carbon; In methanol; water; acetonitrile;

upstream raw materials:

8-benzyl-3-methyl-3,8-diaza-bicyclo[3.2.1]octane

cis-1-Benzyl-2,5-bis(chloromethyl)pyrrolidine Hydrochloride

Refernces

• 1、 -. "Compounds for the Treatment of Hepatitis C". Page/Page column 32. . Retrieved 2008/12/07.
• 2、 -. "Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors". Page/Page column 50. . Retrieved 2008/06/13.