172739-04-7

Basic information

• Product Name: CIS-2-BENZYLOCTAHYDROPYRROLO[3,4-C]PYRROLE
• Synonyms: CIS-2-BENZYLOCTAHYDROPYRROLO[3,4-C]PYRROLE;(3aR,6aS)-2-benzyloctahydropyrrolo[3,4-c]pyrrole;cis-2-Benzylhexahydropyrrolo[3,4-c]pyrrole
• CAS NO: 172739-04-7
• Molecular Formula: C₁₃H₁₈N₂
• Molecular Weight: 202.3
• Product Categories: pharmacetical
• Mol File: 172739-04-7.mol

Chemical Properties

• Boiling Point: 299.587 °C at 760 mmHg
• Flash Point: 124.023 °C
• Appearance: /
• Density: 1.074 g/cm³
• Vapor Pressure: 0.00118mmHg at 25°C
• Refractive Index: 1.57
• PKA: 10.83±0.20(Predicted)
• CAS DataBase Reference: CIS-2-BENZYLOCTAHYDROPYRROLO[3,4-C]PYRROLE(CAS DataBase Reference)
• NIST Chemistry Reference: CIS-2-BENZYLOCTAHYDROPYRROLO[3,4-C]PYRROLE(172739-04-7)
• EPA Substance Registry System: CIS-2-BENZYLOCTAHYDROPYRROLO[3,4-C]PYRROLE(172739-04-7)

Safety Data

• Hazardous Substances Data: 172739-04-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
CIS-2-BENZYLOCTAHYDROPYRROLO[3,4-C]PYRROLE is used as a key intermediate in the synthesis of biologically active molecules for the development of new pharmaceuticals. Its unique structural features allow for the creation of diverse drug candidates with potential therapeutic applications.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, CIS-2-BENZYLOCTAHYDROPYRROLO[3,4-C]PYRROLE serves as a valuable building block for the design and synthesis of novel compounds with potential medicinal properties. Its versatility in chemical reactions enables the exploration of various chemical modifications to optimize the pharmacological activity and selectivity of the resulting molecules.
Used in Drug Discovery:
CIS-2-BENZYLOCTAHYDROPYRROLO[3,4-C]PYRROLE is utilized in drug discovery processes to identify and develop new chemical entities with therapeutic potential. Its unique structure and reactivity make it an attractive starting point for the generation of compound libraries, which can be screened for biological activity against various targets.
Used in Organic Synthesis:
Beyond its applications in the pharmaceutical sector, CIS-2-BENZYLOCTAHYDROPYRROLO[3,4-C]PYRROLE is also used in organic synthesis for the preparation of a wide range of organic compounds. Its unique structural features and reactivity make it a valuable component in the synthesis of complex organic molecules for various applications, including materials science, agrochemicals, and specialty chemicals.

InChI:InChI=1/C13H18N2/c1-2-4-11(5-3-1)8-15-9-12-6-14-7-13(12)10-15/h1-5,12-14H,6-10H2/t12-,13+

Upstream product

• 370879-53-1 (3aR,6aS)-5-benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione 
• 165893-99-2 2,5-dibenzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione 
• 189348-38-7 2,5-dibenzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione 
• 1631-26-1 1-benzyl-1H-pyrrole-2,5-dione 
• 93102-05-7 N-benzyl-N-(methoxymethyl)-N-[(trimethylsilyl)methyl]amine 

Downstream Products

• 370879-56-4 (3aR,6aS)-tert-butyl 5-benzylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate 
• 872001-34-8 C₂₇H₃₇N₃O₂ 
• 872001-73-5 (5-benzylhexahydropyrrolo[3,4-c]pyrrol-2-yl)-(4,6-dimethylpyrimidin-5-yl)methanone 
• 946488-41-1 C₂₇H₃₆FN₃O₂ 
• 946488-54-6 C₁₉H₂₄N₄O 
• 1241985-33-0 C₂₅H₃₃N₅O₃ 
• 1257260-46-0 C₃₂H₄₅N₃O₂ 
• 1220514-61-3 (4,6-dimethylpyrimidin-5-yl)(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone benzylmalonic acid salt 
• 872001-56-4 [(S)-3-[5-(4,6-Dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]carbamic acid tert-butyl ester 
• 872001-57-5 {5-[(S)-3-Amino-3-(3-fluorophenyl)-propyl]hexahydropyrrolo[3,4-c]pyrrol-2-yl}-(4,6-dimethylpyrimidin-5-yl)methanone 
• 1220514-59-9 {5-[(S)-3-Amino-3-(3-fluorophenyl)-propyl]hexahydropyrrolo[3,4-c]pyrrol-2-yl}-(4,6-dimethylpyrimidin-5-yl)methanone tartaric acid salt 
• 1220514-67-9 C₂₇H₃₄FN₅O₃ 
• 1220514-58-8 C₂₇H₃₄FN₅O₃*ClH 
• 1452539-90-0 C₂₄H₃₂N₂O 

Relevant articles and documents

QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS

Compounds of formula (I) that are Fibroblast Growth Factor Inhibitors (FGFR) and are therefore useful for the treatment of diseases treatable by inhibition of FGFR are disclosed. Also disclosed are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS

Compounds that are Fibroblast Growth Factor Inhibitors (FGFR) and are therefore useful for the treatment of diseases treatable by inhibition of FGFR are disclosed. Also disclosed are pharmaceutical compositions containing such compounds and processes for

Practical asymmetric synthesis of RO5114436, a CCR5 receptor antagonist

A practical asymmetric synthesis of a 3,7-diazabicyclo[3.3.0]octane derivative (1), a representative of a new class of potent CCR5 receptor antagonists, is described. The benzylamine stereogenic center of 1 was introduced by a ruthenium-catalyzed asymmetric reductive amination using (R)-MeOBIPHEP as ligand. Aldehyde 4, prepared by Parikh-Doering oxidation, was used without workup in the reductive amination reaction, which not only simplified the process but also overcame the instability of 4. The 3,7-diazabicyclo[3.3.0]octane core was obtained by a [3 + 2] cycloaddition.

Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists

Starting with a high-throughput screening lead, a novel series of CCR5 antagonists was developed utilizing an information-based approach. Improvement of pharmacokinetic properties for the series was pursued by SAR exploration of the lead template. The synthesis, SAR and biological profiles of the series are described.

Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof

The present application describes selective ligands of formula (I) for neuronal nicotinic receptors (NNRs), more specifically for the α4β2 NNR subtype, compositions thereof, and methods of using the same, wherein X, R1, X, R2, R3, L1, m, n, p, and q are defined in the specification.

Octahydropyrrolo[3,4-c]pyrrole: A diamine scaffold for construction of either α4β2 or α7-selective nicotinic acetylcholine receptor (nAChR) ligands. Substitutions that switch subtype selectivity

A series of 5-(pyridine-3-yl)octahydropyrrolo[3,4-c]pyrroles have been prepared that exhibit high affinity to α4β2 and/or α7 nicotinic acetylcholine receptors (nAChRs). Simple substitution patterns have been identified that allow construction of ligands that are highly selective for either nAChR subtype. The effects of substitution on subtype selectivity provide some insight into the differences in the ligand binding domains of the α4β2 and R7 receptors, especially in regions removed from the cation binding pocket.

Diazabicyclic central nervous system active agents

Compounds of formula I pharmaceutical compositions of these compounds, and use of said compositions to control synaptic transmission in mammals.

Diazabicyclooctane derivatives having selective 5-HT1Dalpha agonist activity

PCT No. PCT/GB96/02310 Sec. 371 Date Mar. 9, 1998 Sec. 102(e) Date Mar. 9, 1998 PCT Filed Sep. 19, 1996 PCT Pub. No. WO97/11945 PCT Pub. Date Apr. 3, 1997A class of 3-substituted 3,7-diazabicyclo[3.3.0]octane derivatives, further substituted at the 7-posi