(1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane dihydrochloride

Base Information

• Chemical Name: (1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane dihydrochloride
• CAS No.: 127420-27-3
• Molecular Formula: C₆H₁₂N₂*2ClH
• Molecular Weight: 185.097
• European Community (EC) Number: 894-571-0
• Mol file: 127420-27-3.mol

Synonyms:127420-27-3;(1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane dihydrochloride;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride;(1S,4S)-5-Methyl-2,5-diazabicyclo[2.2.1]heptane dihydrochloride;(1S,4S)-2-Methyl-2,5-Diazabicyclo[2.2.1]Heptane 2HCl;(1S,4S)-2-Methyl-2,5-diaza-bicyclo[2.2.1]heptane dihydrochloride;(1S,4S)-2-METHYL-2,5-DIAZABICYCLO(2.2.1)HEPTANE 2HBR;MFCD11519125;SCHEMBL1176233;CFA42027;AKOS022180182;PS-17314;CS-0054609;D72919;A934222;EN300-19634477;(1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptanedihydrochloride;2,5-Diazabicyclo[2.2.1]heptane,2-methyl-,hydrochloride(1:2),(1S,4S)-

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

Chemical Property:

• Melting Point: 260 - 270 °C (propan-2-ol)
• PSA: 15.27000
• LogP: 1.53300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 184.0534038
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

99%, ^*data from raw suppliers

(1S,4S)-5-Methyl-2,5-diazabicyclo[2.2.1]heptanedihydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC2CC1CN2.Cl.Cl
• Isomeric SMILES: CN1C[C@@H]2C[C@H]1CN2.Cl.Cl

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

There total 2 articles about (1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane dihydrochloride 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: 73.0%

2-tert-butoxycarbonyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane (244768-98-7) → (1S,4S)-5-methyl-2,5-diazabicyclo<2.2.1>heptane dihydrochloride (52321-26-3,127420-27-3)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 48h;

DOI:10.1007/BF02269540

Reference yield:

(2S,4S)-N-(tert-butoxycarbonyl)-4-(p-toluenesulfonyloxy)-2-<(p-toluenesulfonyloxy)methyl>pyrrolidine (61478-27-1) → (1S,4S)-5-methyl-2,5-diazabicyclo<2.2.1>heptane dihydrochloride (52321-26-3,127420-27-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / toluene / 720 h / 40 °C

2: 73 percent / conc. HCl / methanol / 48 h / 20 °C

With hydrogenchloride; In methanol; toluene; 1: Substitution / 2: Hydrolysis;

DOI:10.1007/BF02269540

Reference yield: 85.0%

6,7-difluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid (103994-99-6) + (1S,4S)-5-methyl-2,5-diazabicyclo<2.2.1>heptane dihydrochloride (52321-26-3,127420-27-3) → 6-Fluoro-1-(4-fluoro-phenyl)-7-((1S,4S)-5-methyl-2,5-diaza-bicyclo[2.2.1]hept-2-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid (138808-75-0)

Guidance literature:

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

DOI:10.1021/jm00082a001

upstream raw materials:

2-tert-butoxycarbonyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane

(2S,4S)-N-(tert-butoxycarbonyl)-4-(p-toluenesulfonyloxy)-2-<(p-toluenesulfonyloxy)methyl>pyrrolidine

Downstream raw materials:

danofloxacin

6-Fluoro-1-(4-fluoro-phenyl)-7-((1S,4S)-5-methyl-2,5-diaza-bicyclo[2.2.1]hept-2-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

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

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

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