Octahydropyrrolo[3,4-b]pyrrole

Base Information

• Chemical Name: Octahydropyrrolo[3,4-b]pyrrole
• CAS No.: 931-00-0
• Molecular Formula: C₆H₁₂N₂
• Molecular Weight: 112.175
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60473357
• Mol file: 931-00-0.mol

Synonyms:Octahydropyrrolo[3,4-b]pyrrole;931-00-0;1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole;octahydropyrrolo[2,3-c]pyrrole;SCHEMBL368117;DTXSID60473357;YETODIXQMRZKEG-UHFFFAOYSA-N;2,7-diazabicyclo[3.3.0]octane;AKOS006304990;CS-0046550

Chemical Property of Octahydropyrrolo[3,4-b]pyrrole

Chemical Property:

• PSA: 24.06000
• LogP: 0.22530
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.100048391
• Heavy Atom Count: 8
• Complexity: 92.5

Purity/Quality:

99% ^*data from raw suppliers

OCTAHYDRO-PYRROLO[3,4-B]PYRROLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2C1CNC2

Technology Process of Octahydropyrrolo[3,4-b]pyrrole

There total 2 articles about Octahydropyrrolo[3,4-b]pyrrole 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:

ethyl hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate (132414-79-0,894854-14-9) + 8H2 O → 2-Oxa-2,7-diazabicyclo[3.3.0]octane (931-00-0)

Guidance literature:

With Ba(OH)2; In water;

Reference yield:

→ 2-Oxa-2,7-diazabicyclo[3.3.0]octane (931-00-0)

Guidance literature:

Reference yield: 56.0%

2-chloro-N-(3-((5-chloro-4-((2-(isopropylsulfonyl)-phenyl)amino)pyrimidin-2-yl)amino)phenyl)acetamide + 2-Oxa-2,7-diazabicyclo[3.3.0]octane (931-00-0) → N-(3-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)phenyl)-2-(hexahydropyrrolo[3,4-b]pyrrol-1(2H)-yl)acetamide

Guidance literature:

With potassium carbonate; triethylamine; In acetonitrile; Reflux;

DOI:10.1021/jm5005144

upstream raw materials:

ethyl hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate