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

Base Information

• Chemical Name: 3-Benzyl-3,8-diazabicyclo[3.2.1]octane
• CAS No.: 67571-90-8
• Molecular Formula: C13H18N2
• Molecular Weight: 202.299
• Hs Code.: 2933990090
• European Community (EC) Number: 873-971-9
• ChEMBL ID: CHEMBL228762
• DSSTox Substance ID: DTXSID00497951
• Mol file: 67571-90-8.mol

Synonyms:3-BENZYL-3,8-DIAZABICYCLO[3.2.1]OCTANE;67571-90-8;3-benzyl-3,8-diaza-bicyclo[3.2.1]octane;MFCD20441694;3-BENZYL-3,8-DIAZABICYCLO(3.2.1)OCTANE;SCHEMBL334616;CHEMBL228762;DTXSID00497951;QXMPIEOTDBYZDL-UHFFFAOYSA-N;AKOS000282825;AKOS016842428;SB38248;AS-51474;SY047190;3-benzyl-3,8diaza-bicyclo[3.2.1]octane;3-benzyl-3.8-diazabicyclo[3.2.1]octane;CS-0037895;FT-0662735;EN300-90563;P12759;A846847

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

Chemical Property:

• Vapor Pressure: 7.27E-05mmHg at 25°C
• Melting Point: 28-29°C
• Refractive Index: 1.584
• Boiling Point: 309.164 °C at 760 mmHg
• PKA: 10.07±0.20(Predicted)
• Flash Point: 131.436 °C
• PSA: 15.27000
• Density: 1.074 g/cm³
• LogP: 1.88950
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.146998583
• Heavy Atom Count: 15
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

3-Benzyl-3,8-diazabicyclo[3.2.1]octane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:
• Hazard Codes: C:Corrosive
• Statements: R34:
• Safety Statements: S23:; S26:; S36/37/39:; S45:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CN(CC1N2)CC3=CC=CC=C3
• Uses: A

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

There total 17 articles about 3-Benzyl-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: 96.0%

3-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione (96483-83-9) → 3-benzyl-3,8-diazabicyclo[3.2.1]octane (67571-90-8)

Guidance literature:

With LiAlH₄; In diethyl ether;

Reference yield: 92.0%

3-benzyl-8-(tert-butoxycarbonyl)-3,8-diazabicyclo[3.2.1]-octane (149771-43-7) → 3-benzyl-3,8-diazabicyclo[3.2.1]octane (67571-90-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

Reference yield:

benzyl chloroformate (501-53-1,94274-21-2) + 8-t-butoxycarbonyl-3,8-diazabicyclo[3.2.1]octane (149771-44-8) → benzyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate (415979-31-6) + 3-benzyl-3,8-diazabicyclo[3.2.1]octane (67571-90-8)

Guidance literature:

benzyl chloroformate; 8-t-butoxycarbonyl-3,8-diazabicyclo[3.2.1]octane; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 72h;

With trifluoroacetic acid; In 1,2-dichloro-ethane; at 20 ℃; for 2h;

upstream raw materials:

3-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione

benzyl chloroformate

8-t-butoxycarbonyl-3,8-diazabicyclo[3.2.1]octane

diethyl meso-2,5-dibromoadipate

Downstream raw materials:

N,N'-bis-3-benzyl-8-(3,8-diazabicyclo(3.2.1)octyl)-glutaramide

3-benzyl-8-(tert-butoxycarbonyl)-3,8-diazabicyclo[3.2.1]-octane

7-(3,-benzyl-3,8-diazabicyclo [3.2.1] oct-8-yl)-1-(1,1-dimethylethyl)-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester

(3-benzyl-3,8-diaza-bicyclo[3.2.1]oct-8-yl)-(1H-indol-2-yl)-methanone