2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine

Basic Information

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CAS Number

3001-72-7

Molecular Formula

C7H12N2

Molecular Weight

124.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

95-98 °C/7.5 mmHg

Refractive Index

n20/D 1.519(lit.)<br />n20/D 1.521

SMILES

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C1CC2=NCCCN2C1

InChI

InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2

InChIKey

SGUVLZREKBPKCE-UHFFFAOYSA-N

LogP

0.8844

Topological Polar Surface Area

15.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

140

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Air Sensitive

Synonyms & References

English

1,5-diaza-bicyclo[4.3.0]non-5-ene
Q307070
MFCD00005554
1,5-diazabicyclo[4,3,0]non-5-ene
BCP30896
1,5-diaza- bicylo-[4,3,0]-non-5-ene
Pyrrolo[1,2-a]pyrimidine, 2,3,4,6,7,8-hexahydro-
1,5-diazabicyclo[4.3.0] -5-nonene
1,5-diazabicyclo(4,3,0)non-5-ene
1,5-diazabicyclo[4,3,0]-5-nonene
NSC 118106
AKOS025243303
1,5-Diazabicyclo(4.3.0)non-5-ene
1,5-DIAZABICYCLO(4.3.0)NON-5-ENE [MI]
NSC118106
AKOS005206778
A820145
2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine
2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine Pyrrolo[1,2-a]pyrimidine, 2,3,4,6,7,8-hexahydro- PYRROLIDINO[1,2:A]1,4,5,6-TETRAHYDRO-PYRIMIDINE
EINECS 221-087-3
1,5-diazabicyclo-[4.3.0]non-5-ene
2,3,4,6,7,8-hexahydropyrrolo(1,2-a)pyrimidine
FT-0606950
2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine #
F8889-2155
CHEMBL3303308
1,5-diazabicyclo-[4.3.0] non-5-ene
InChI=1/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H
NS00028824
978M4OL12Q
1,5-diazabicyclo[4.3.0]-non-5-ene

MDL Number

MFCD00005554

Customs Code

29335995

FAQ

What are the physical and chemical properties of 2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine (CAS: 3001-72-7)?

2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine is a crystalline solid with a molecular weight of approximately 168.22 g/mol. It has a solubility of about 0.1 mg/mL in water and is relatively insoluble in organic solvents. The compound is stable but can react with strong acids and bases. It is a moderately reactive compound and can undergo substitution reactions under certain conditions.

How is 2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine (CAS: 3001-72-7) typically synthesized?

2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine is typically synthesized via a multistep process involving the introduction of a pyrimidine ring onto a hexahydro-pyrrole skeleton. Common methods include condensation reactions using appropriate precursors, followed by dehydrative cyclizations. The synthesis often requires temperature control, vacuum, and the use of Lewis acids as catalysts to achieve high selectivity and yield.

What industries use 2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine (CAS: 3001-72-7)?

2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine finds applications in the pharmaceutical industry due to its biological activity, particularly as a potential lead compound for drug development. It is also used in the polymer industry for the synthesis of novel materials with specific properties. Additionally, it may be used in the production of sensors and semiconductors, although its application in these areas is less common.

What precautions should be taken when handling 2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine (CAS: 3001-72-7)?

When handling 2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood due to its potential for inhalation hazards. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed handling and disposal information. Avoid contact with skin and eyes, and seek immediate medical attention if any exposure occurs.