Cas no 6674-22-2 (1,8-Diazabicyclo[5.4.0]undec-7-ene)
1,8-Diazabicyclo[5.4.0]undec-7-ene Chemical and Physical Properties
Names and Identifiers
-
- 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine
- DBU
- 1,8-diazabicyclo(5.4.0)undec-7-ene
- 1,8-Diazabicyclo(5,4,0)undec-7-ene
- Diazabicycloundecene
- Dicyclo[5,4,0]-1,8-Diazole-7-Nonylene
- 1,5-Diaza(5,4,0)undec-5-ene
- 1,5-Diazabicyclo[5.4.0]-5-undecene
- 2,3,4,6,7,8,9,10-Octahydropyrimido(1,2-alpha)azepine
- 2-a]azepine,2,3,4,6,7,8,9,10-octahydro-pyrimido[
- 2-a]azepine,2,3,4,6,7,8,9,10-octahydro-Pyrimido[1
- Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-
- 1,8-Diazabicyclo[5.4.0]-7-undecene
- 1,8-Diazabicyclo[5,4,0]undec-7-ene
- 1,8-Diazabicyclo[5.4.0]undec-7-ene
- 1,8-Diazabicyclo-[5,4,0]undec-7-ene
- polycat dbu
- 1,8-diazabicyclo[5,4,0]-undec-7-ene
- GQHTUMJGOHRCHB-UHFFFAOYSA-N
- H1ILJ6IBUX
- 2H,3H,4H,6H,7H,8H,9H,10H-pyrimido[1,2-a]azepine
- 1,8-diazabicyclo[5,4,0]undec-7-e
- 1,8-Diazabicyclo[5.4.]Undec-7-Ene,98%
-
- MDL: MFCD00006930
- Inchi: 1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2
- InChI Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N
- SMILES: N12CCCN=C1CCCCC2
- BRN: 508906
Computed Properties
- Exact Mass: 152.13100
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 163
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.4
- Topological Polar Surface Area: 15.6
Experimental Properties
- Color/Form: Colorless transparent liquid, almost tasteless.
- Density: 1.019?g/mL?at 20?°C(lit.)
- Melting Point: -70 oC
- Boiling Point: 115?°C/11?mmHg(lit.)
- Flash Point: Fahrenheit: 240.8 ° f < br / > Celsius: 116 ° C < br / >
- Refractive Index: n20/D 1.523
- PH: 12.8 (10g/l, H2O, 20℃)
- Solubility: soluble
- Water Partition Coefficient: dissolution
- Stability/Shelf Life: Stable. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides.
- PSA: 15.60000
- LogP: 1.03810
- Solubility: Soluble in water, ethanol, acetone, ethyl acetate, benzene, carbon tetrachloride, dimethyl sulfoxide, dimethyl formamide, but poorly soluble in petroleum ether.
- Vapor Pressure: 5.3 mmHg ( 37.7 °C)
- Sensitiveness: Air Sensitive
1,8-Diazabicyclo[5.4.0]undec-7-ene Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Danger
- Hazard Statement: H290,H301,H314,H412
- Warning Statement: P273,P280,P301+P310,P305+P351+P338,P310
- Hazardous Material transportation number:UN 3267 8/PG 2
- WGK Germany:3
- Hazard Category Code: 22-34-52/53
- Safety Instruction: S26-S36/37/39-S45-S61
- FLUKA BRAND F CODES:34
-
Hazardous Material Identification:
- Risk Phrases:R22; R35; R52/53
- Packing Group:II
- Safety Term:8
- HazardClass:8
- PackingGroup:II
- TSCA:Yes
- Explosive Limit:1.1-6.5%(V)
- Storage Condition:Store at room temperature
1,8-Diazabicyclo[5.4.0]undec-7-ene Customs Data
- HS CODE:29339930
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1,8-Diazabicyclo[5.4.0]undec-7-ene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D807027-2.5kg |
1,8-Diazabicyclo[5.4.0]undec-7-ene |
6674-22-2 | 99% | 2.5kg |
¥831.00 | 2022-01-11 | |
| abcr | AB110680-25 g |
1,8-Diazabicyclo[5.4.0]undec-7-ene, 99%; . |
6674-22-2 | 99% | 25g |
€34.80 | 2021-09-17 | |
| abcr | AB110680-100 g |
1,8-Diazabicyclo[5.4.0]undec-7-ene, 99%; . |
6674-22-2 | 99% | 100 g |
€84.50 | 2023-07-20 | |
| abcr | AB110680-500 g |
1,8-Diazabicyclo[5.4.0]undec-7-ene, 99%; . |
6674-22-2 | 99% | 500 g |
€157.40 | 2023-07-20 | |
| abcr | AB110680-1 kg |
1,8-Diazabicyclo[5.4.0]undec-7-ene, 99%; . |
6674-22-2 | 99% | 1 kg |
€248.10 | 2023-07-20 | |
| TRC | D417090-10g |
1,8-Diazabicyclo[5.4.0]undec-7-ene |
6674-22-2 | 10g |
$ 127.00 | 2023-09-07 | ||
| TRC | D417090-50g |
1,8-Diazabicyclo[5.4.0]undec-7-ene |
6674-22-2 | 50g |
$ 148.00 | 2023-09-07 | ||
| TRC | D417090-150g |
1,8-Diazabicyclo[5.4.0]undec-7-ene |
6674-22-2 | 150g |
$ 207.00 | 2023-09-07 | ||
| Fluorochem | 033415-25g |
1,8-Diazabicyclo[5.4.0]undec-7-ene |
6674-22-2 | 98% | 25g |
£14.00 | 2022-03-01 | |
| Fluorochem | 033415-100g |
1,8-Diazabicyclo[5.4.0]undec-7-ene |
6674-22-2 | 98% | 100g |
£18.00 | 2022-03-01 |
1,8-Diazabicyclo[5.4.0]undec-7-ene Suppliers
1,8-Diazabicyclo[5.4.0]undec-7-ene Related Literature
-
Reza Kordnezhadian,Mohsen Shekouhy,Ali Khalafi-Nezhad New J. Chem. 2019 43 18559
-
Christopher Wong,Roger J. Griffin,Ian R. Hardcastle,Julian S. Northen,Lan-Zhen Wang,Bernard T. Golding Org. Biomol. Chem. 2010 8 2457
-
Leslie Ann Clarke,Aoife Ring,Alan Ford,Abhijeet S. Sinha,Simon E. Lawrence,Anita R. Maguire Org. Biomol. Chem. 2014 12 7612
-
Mohsen Shekouhy,Ali Khalafi-Nezhad Green Chem. 2015 17 4815
-
5. Synthesis and study of the stability of amidinium/guanidinium carbamates of amines and α-amino acidsLorenzo Biancalana,Giulio Bresciani,Cinzia Chiappe,Fabio Marchetti,Guido Pampaloni New J. Chem. 2017 41 1798
Additional information on 1,8-Diazabicyclo[5.4.0]undec-7-ene
Introduction to 1,8-Diazabicyclo[5.4.0]undec-7-ene (CAS No. 6674-22-2)
1,8-Diazabicyclo[5.4.0]undec-7-ene, identified by the Chemical Abstracts Service Number (CAS No.) 6674-22-2, is a heterocyclic compound that has garnered significant attention in the field of organic chemistry and pharmaceutical research due to its unique structural framework and potential applications. This bicyclic amine features a seven-membered ring containing two nitrogen atoms, making it a member of the diazabicycloalkane family. The compound's distinct architecture and reactive sites have positioned it as a valuable scaffold for the development of novel chemical entities, particularly in medicinal chemistry and materials science.
The molecular structure of 1,8-Diazabicyclo[5.4.0]undec-7-ene consists of a bicyclic system with a strained ring conformation, which can influence its reactivity and interaction with biological targets. The presence of two nitrogen atoms in close proximity within the ring creates potential sites for coordination with metal ions or for participation in hydrogen bonding interactions, making it a promising candidate for designing ligands or catalysts. Furthermore, the compound's ability to undergo ring-opening reactions under specific conditions has been explored for synthesizing more complex molecules, underscoring its utility as an intermediate in organic synthesis.
In recent years, 1,8-Diazabicyclo[5.4.0]undec-7-ene has been studied for its potential applications in pharmaceutical development. Researchers have been particularly interested in its role as a precursor for generating nitrogen-containing heterocycles, which are prevalent in biologically active compounds such as drugs and agrochemicals. The compound's structural motif has been incorporated into various synthetic strategies aimed at creating molecules with enhanced binding affinity and selectivity for therapeutic targets. For instance, derivatives of 1,8-Diazabicyclo[5.4.0]undec-7-ene have been investigated for their interactions with enzymes and receptors, providing insights into their pharmacological properties.
One of the most compelling aspects of 1,8-Diazabicyclo[5.4.0]undec-7-ene is its versatility in chemical transformations. The strained ring system can be exploited to facilitate reactions such as intramolecular cyclization or nucleophilic addition, enabling the construction of complex molecular architectures with precision. This flexibility has made it a valuable tool in synthetic organic chemistry, particularly for constructing polycyclic frameworks that mimic natural products or designed molecules with specific functionalities. The compound's reactivity also extends to its ability to form stable complexes with transition metals, which has implications for catalytic applications in industrial processes and fine chemical synthesis.
Recent advancements in computational chemistry have further highlighted the significance of 1,8-Diazabicyclo[5.4.0]undec-7-ene as a molecular building block. Molecular modeling studies have revealed that the compound's scaffold can be engineered to optimize interactions with biological targets by tuning electronic and steric properties. These insights have guided the design of novel derivatives with improved pharmacokinetic profiles and reduced toxicity, aligning with current trends in drug discovery towards more targeted and effective therapies. The integration of experimental data with computational predictions has accelerated the development pipeline for 1,8-Diazabicyclo[5.4.0]undec-7-ene - based compounds.
The compound's potential extends beyond pharmaceuticals into materials science, where its unique structural features make it suitable for developing advanced polymers and functional materials. Researchers have explored its incorporation into polymer matrices to enhance thermal stability or mechanical strength, leveraging its ability to form robust intermolecular interactions within the material framework. Additionally, the nitrogen-rich structure of 1,8-Diazabicyclo[5.4.0]undec-7-ene has been exploited in designing materials that exhibit luminescent or conductive properties, opening avenues for applications in optoelectronics and nanotechnology.
In summary,1,8-Diazabicyclo[5.4.0]undec-7-ene (CAS No., 6674-22-2) represents a structurally intriguing and versatile compound with broad applicability across multiple scientific disciplines。 Its unique chemical properties make it an attractive scaffold for drug discovery、organic synthesis、and materials engineering。 As research continues to uncover new methodologies for utilizing this compound,its importance is expected to grow,driving innovation in both academic and industrial settings。 The ongoing exploration of 1,8-Diazabicyclo[5。4。0]undec - 7 - ene underscores its potential as a cornerstone molecule in modern chemistry。
6674-22-2 (1,8-Diazabicyclo[5.4.0]undec-7-ene) Related Products
- 20354-64-7(2-Pyrimidinehexanamine, 1,4,5,6-tetrahydro-)
- 88097-29-4(Pyrimidine, 1,4,5,6-tetrahydro-2-tridecyl-)
- 34608-41-8(3'',4,4'',5,5'',6,6'',7-octahydro-1(3H),7''-bi-2H-azepine)
- 138666-59-8(1,8-Diazabicyclo5.4.0-7-undecene Hydrogen Tribromide)
- 821005-03-2(1,3-Propanediamine, N,N'-bis(1-methyl-2-pyrrolidinylidene)-)
- 20354-61-4(2-Pyrimidinepentanamine, 1,4,5,6-tetrahydro-)
- 3001-72-7(2H,3H,4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidine)
- 27800-11-9(2H-Azepin-7-amine,N-dodecyl-3,4,5,6-tetrahydro-N-methyl-)
- 88097-30-7(Pyrimidine, 1,4,5,6-tetrahydro-2-nonyl-)
- 88122-40-1(Pyrimidine, 1,4,5,6-tetrahydro-2-pentadecyl-)