(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane

Base Information

• Chemical Name: (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane
• CAS No.: 132339-20-9
• Molecular Formula: C5H10N2
• Molecular Weight: 98.1478
• Mol file: 132339-20-9.mol

Synonyms:2,5-Diazabicyclo[2.2.1]heptane,(1S)-;(1S,4S)-(+)-2,5-Diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane;

Chemical Property of (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane

Chemical Property:

• Vapor Pressure: 1.15mmHg at 25°C
• Refractive Index: 1.483
• Boiling Point: 175.4 °C at 760 mmHg
• PKA: 10.58±0.20(Predicted)
• Flash Point: 78.1 °C
• PSA: 24.06000
• Density: 1.008 g/cm³
• LogP: -0.02230

Purity/Quality:

97% ^*data from raw suppliers

(1S,4S)-2,5-Diaza-bicyclo[2.2.1]heptane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane

There total 1 articles about (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane 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: 85.0%

1-(methylsufonyl)-4-fluorobenzene (455-15-2) + (S)-2-methylpiperazine (74879-18-8) → <1R,4R>-(1R-cis) 2,5-diazabicyclo<2.2.2>octane (132339-20-9)

Guidance literature:

at 150 ℃; for 2h;

Reference yield: 92.0%

6,7-difluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid (103994-99-6) + <1R,4R>-(1R-cis) 2,5-diazabicyclo<2.2.2>octane (132339-20-9) → 1-(4-Fluorophenyl)-6-fluoro-1,4-dihydro-7-{(1S.4S)-2,5-diazabicyclo[2.2.1]hept-2-yl}-4-oxo-3-quinolinecarboxylic acid (138808-69-2)

Guidance literature:

With pyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene; at 80 ℃; for 2h;

DOI:10.1021/jm00082a001

Reference yield: 72.0%

<1R,4R>-(1R-cis) 2,5-diazabicyclo<2.2.2>octane (132339-20-9) + 7-fluoro-1-p-fluorophenyl-6,8-difluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid (103994-87-2) → 1-(4-Fluorophenyl)-6,8-difluoro-1,4-dihydro-7-{(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl}-4-oxo-3-quinolinecarboxylic acid (138698-02-9)

Guidance literature:

With pyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene; at 80 ℃; for 2h;

DOI:10.1021/jm00082a001

upstream raw materials:

1-(methylsufonyl)-4-fluorobenzene

(S)-2-methylpiperazine

Downstream raw materials:

1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-3-quinoline carboxylic acid

1-(4-Fluorophenyl)-6-fluoro-1,4-dihydro-7-{(1S_.4S)-2,5-diazabicyclo[2.2.1]hept-2-yl}-4-oxo-3-quinolinecarboxylic acid

1-(4-Fluorophenyl)-6,8-difluoro-1,4-dihydro-7-{(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl}-4-oxo-3-quinolinecarboxylic acid

7-(1S,4S)-2,5-Diaza-bicyclo[2.2.1]hept-2-yl-1-(2,4-difluoro-phenyl)-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

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