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1,2,3,3a,4,9-Hexahydropyrrolo[2,1-b]quinazoline is a complex organic compound with the molecular formula C10H12N2. It is a derivative of quinazoline, a tricyclic fused-ring system consisting of a pyrrole and a benzene ring. 1,2,3,3a,4,9-Hexahydropyrrolo[2,1-b]quinazoline is characterized by its hexahydro structure, which means it contains six hydrogen atoms bonded to carbon atoms in a cyclic manner. It is an important intermediate in the synthesis of various pharmaceuticals and agrochemicals due to its unique structure and reactivity. The compound has potential applications in the development of new drugs, particularly in the areas of anticancer and antiviral therapies, as well as in the creation of novel pesticides. Its chemical properties and reactivity make it a valuable building block for the synthesis of more complex molecules.

495-58-9

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495-58-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 495-58-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,9 and 5 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 495-58:
(5*4)+(4*9)+(3*5)+(2*5)+(1*8)=89
89 % 10 = 9
So 495-58-9 is a valid CAS Registry Number.

495-58-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline

1.2 Other means of identification

Product number -
Other names 1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:495-58-9 SDS

495-58-9Relevant academic research and scientific papers

Reaction of deoxyvasicinone with organolithium compounds

Shakhidoyatov,Ibragimov,Mukhamedov

, p. 598 - 599 (2010)

4-Butyl-4-hydroxydeoxypeganine was prepared by lithiation of deoxyvasicinone. Deoxypeganine and 1,2-dihydrodeoxypeganine were produced by reduction of deoxyvasicinone with lithium aluminum hydride.

Redox Condensations of o-Nitrobenzaldehydes with Amines under Mild Conditions: Total Synthesis of the Vasicinone Family

Afanasyev, Oleg I.,Podyacheva, Evgeniya,Rudenko, Alexander,Tsygankov, Alexey A.,Makarova, Maria,Chusov, Denis

, p. 9347 - 9360 (2020/08/14)

A total synthesis of the vasicinone family of natural products from bulk chemicals was developed. Reductive condensation of o-nitrobenzaldehydes with amines utilizing iron pentacarbonyl as a reducing agent followed by subsequent oxidation leads to a great variety of polycyclic nitrogen-containing heterocycles under mild conditions. Enantiomerically pure vasicinone, rutaecarpine, isaindigotone, and luotonin were synthesized from readily available starting materials like hydroxyproline, nitrobenzaldehyde, pyrrolidine, and piperidine in two to four operational steps without chromatography. The antifungal activity of all products was tested.

Facile access to ring-fused aminals via direct α-amination of secondary amines with o-aminobenzaldehydes: Synthesis of vasicine, deoxyvasicine, deoxyvasicinone, mackinazolinone, and ruteacarpine

Richers, Matthew T.,Deb, Indubhusan,Platonova, Alena Yu.,Zhang, Chen,Seidel, Daniel

, p. 1730 - 1748 (2013/07/26)

Secondary amines undergo redox-neutral reactions with aminobenzaldehydes under conventional and microwave heating to furnish polycyclic aminals via amine α-amination/N-alkylation. This unique α-functionalization reaction proceeds without the involvement of transition metals or other additives. The resulting aminal products are precursors for various quinazolinone alkaloids and their analogues. Georg Thieme Verlag Stuttgart. New York.

Metal-free α-amination of secondary amines: Computational and experimental evidence for azaquinone methide and azomethine ylide intermediates

Dieckmann, Arne,Richers, Matthew T.,Platonova, Alena Yu.,Zhang, Chen,Seidel, Daniel,Houk

, p. 4132 - 4144 (2013/06/04)

We have performed a combined computational and experimental study to elucidate the mechanism of a metal-free α-amination of secondary amines. Calculations predicted azaquinone methides and azomethine ylides as the reactive intermediates and showed that iminium ions are unlikely to participate in these transformations. These results were confirmed by experimental deuterium-labeling studies and the successful trapping of the postulated azomethine ylide and azaquinone methide intermediates. In addition, computed barrier heights for the rate-limiting step correlate qualitatively with experimental findings.

α-amination of nitrogen heterocycles: Ring-fused aminals

Zhang, Chen,De, Chandra Kanta,Mal, Rudrajit,Seidel, Daniel

, p. 416 - 417 (2008/09/20)

Aromatic aminoaldehydes react with cyclic amines to produce ring-fused aminals under thermal conditions. This process is applied to two-step syntheses of the quinazolinone alkaloids deoxyvasicinone and rutaecarpine. Copyright

Ring-fused aminals: catalyst and solvent-free microwave-assisted α-amination of nitrogen heterocycles

Polshettiwar, Vivek,Varma, Rajender S.

experimental part, p. 7165 - 7167 (2009/04/10)

A high-yield synthesis of ring-fused aminals via microwave (MW)-assisted α-amination of nitrogen heterocycles at 130 °C under solvent- and catalyst-free conditions is described.

The Stereochemistry of Organometallic Compounds. XLII. The Preparation of Quinazolines Involving Rhodium-Catalysed Hydroformylation of 2-Amino-N-alkenylbenzylamines

Campi, Eva M.,Habsuda, Jana,Jackson, W. Roy,Jonasson, Catrin A. M.,McCubbin, Quentin J.

, p. 2023 - 2034 (2007/10/02)

Rhodium-catalysed reactions of 2-amino-N-alkenylbenzylamines with H2/CO give hexahydropyrrolo- and hexahydropyridoquinazolines.Reactions of N-allyl derivatives give a single regioisomer, and reactions of but-3-enyl analogues give mixtures of pyrrol

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