5-Methyloctahydropyrrolo[3,4-b]pyrrole

Base Information

• Chemical Name: 5-Methyloctahydropyrrolo[3,4-b]pyrrole
• CAS No.: 132414-59-6
• Molecular Formula: C₇H₁₄N₂
• Molecular Weight: 126.202
• Hs Code.: 2933990090
• European Community (EC) Number: 895-194-4
• DSSTox Substance ID: DTXSID70585551
• Mol file: 132414-59-6.mol

Synonyms:5-methyloctahydropyrrolo[3,4-b]pyrrole;132414-59-6;5-methyl-octahydropyrrolo[3,4-b]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;5-METHYL-1H-HEXAHYDROPYRROLO[3,4-B]PYRROLE;Octahydro-5-methylpyrrolo[3,4-b]pyrrole;5-methyl-octahydro-pyrrolo[3,4-b]pyrrole;(3AR,6aR)-5-Methylhexahydropyrrolo[3,4-b]pyrrole;948846-61-5;5-methyl-octahydropyrrolo[2,3-c]pyrrole;Pyrrolo[3,4-b]pyrrole, octahydro-5-methyl-;(3aS,6aS)-5-methyl-octahydropyrrolo[3,4-b]pyrrole;1176846-84-6;MFCD19220857;rel-(3aS,6aS)-5-Methyloctahydropyrrolo[3,4-b]pyrrole;SCHEMBL1222706;DTXSID70585551;DLUDAUJQMXTXGQ-UHFFFAOYSA-N;MFCD09702262;AKOS009133129;SB32834;AS-43244;SY035156;7-Methyl-2,7-diazabicyclo[3.3.0]octane;CS-0046653;EN300-39803;F8889-0190;Z255150334

Chemical Property of 5-Methyloctahydropyrrolo[3,4-b]pyrrole

Chemical Property:

• Vapor Pressure: 1.528mmHg at 25°C
• Boiling Point: 169.626°C at 760 mmHg
• Flash Point: 62.735°C
• PSA: 15.27000
• Density: 0.97g/cm³
• LogP: 0.44590
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.115698455
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

97% ^*data from raw suppliers

5-Methyloctahydropyrrolo[3,4-B]pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC2CCNC2C1
• Uses: 5-METHYLOCTAHYDROPYRROLO[3,4-B]PYRROLE (cas# 132414-59-6) is a useful research chemical. 5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.

Technology Process of 5-Methyloctahydropyrrolo[3,4-b]pyrrole

There total 10 articles about 5-Methyloctahydropyrrolo[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: 99.0%

(3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-c]pyrrole (1421372-15-7) → (3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole (948846-61-5,132414-59-6,876130-70-0)

Guidance literature:

With palladium on activated charcoal; hydrogen; In ethanol; at 70 ℃; for 24h; under 2327.23 Torr;

Reference yield: 97.19%

cis-tert-butyl hexahydropyrrolo[2,3-c]pyrrole-5(1H)-carboxylate (180975-51-3) → cis-5-methyloctahydropyrrolo[2,3-c]pyrrole (132414-59-6,876130-70-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 70 ℃; for 2h; Inert atmosphere;

Reference yield:

(3aR,6aR)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole-1-carboxylic acid tert-butyl ester (948846-60-4) → (3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole (948846-61-5,132414-59-6,876130-70-0)

Guidance literature:

(3aR,6aR)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole-1-carboxylic acid tert-butyl ester; With hydrogenchloride; water; In methanol; at 20 ℃;

With sodium hydroxide; In water; pH=9 - 10;

upstream raw materials:

2-benzyl-7-methyl-2,7-diazabicyclo[3.3.0]octane

(3aR,6aR)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole-1-carboxylic acid tert-butyl ester

(3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-c]pyrrole

(3aR,6aR)-1-[(1R)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-c]pyrrole

Downstream raw materials:

(3aR,6aR)-5-methyl-1-(4-piperazin-1-yl-phenyl)-octahydro-pyrrolo[3,4-b]pyrrole

2-{5-[4-((3aR,6aR)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrol-1-yl)-phenyl]-pyridin-2-yl}-2H-pyridazin-3-one

(3aR,6aR)-5-methyl-1-(4-(4,4,5,5-tetramethyl-1,3-dioxaborolan-2-yl)-phenyl)-octahydro-pyrrolo[3,4-b]pyrrole

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