Cas no 918-82-1 (3,3-dimethylpent-1-yne)
3,3-Dimethylpent-1-yne is a terminal alkyne with the molecular formula C7H12, characterized by a triple bond at the first carbon and two methyl groups at the third carbon. This structure imparts reactivity typical of terminal alkynes, making it useful in organic synthesis, particularly in Sonogashira coupling and other cross-coupling reactions. Its sterically hindered nature can influence selectivity in certain transformations. The compound is commonly employed as a building block in pharmaceuticals, agrochemicals, and material science due to its ability to introduce branched alkyl groups into molecular frameworks. It is typically stored under inert conditions to prevent degradation.
3,3-dimethylpent-1-yne structure
Product Name:3,3-dimethylpent-1-yne
3,3-dimethylpent-1-yne Chemical and Physical Properties
Names and Identifiers
-
- 3,3-dimethylpent-1-yne
- 4A5U8NFC43
- DTXSID20309249
- KQIIKSQUHGGYCU-UHFFFAOYSA-N
- 1-Pentyne,3-dimethyl-
- NSC211470
- NSC-211470
- UNII-4A5U8NFC43
- 3,3-Dimethyl-1-pentyne
- AKOS024260299
- 918-82-1
- 1-Pentyne, 3,3-dimethyl-
- EN300-180546
-
- Inchi： 1S/C7H12/c1-5-7(3,4)6-2/h1H,6H2,2-4H3
- InChI Key： KQIIKSQUHGGYCU-UHFFFAOYSA-N
- SMILES： C(C#C)(C)(C)CC
Computed Properties
- Exact Mass: 96.094
- Monoisotopic Mass: 96.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 89.9
- 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
- XLogP3: 2.8
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.7032
- Melting Point: -88.73°C (estimate)
- Boiling Point: 70°C
- Flash Point: °C
- Refractive Index: 1.3908
3,3-dimethylpent-1-yne Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-180546-0.05g |
3,3-dimethylpent-1-yne |
918-82-1 | 95% | 0.05g |
$266.0 | 2023-09-19 | |
| Enamine | EN300-180546-0.1g |
3,3-dimethylpent-1-yne |
918-82-1 | 95% | 0.1g |
$396.0 | 2023-09-19 | |
| Enamine | EN300-180546-0.25g |
3,3-dimethylpent-1-yne |
918-82-1 | 95% | 0.25g |
$567.0 | 2023-09-19 | |
| Enamine | EN300-180546-1.0g |
3,3-dimethylpent-1-yne |
918-82-1 | 95% | 1g |
$0.0 | 2023-06-08 | |
| Enamine | EN300-180546-0.5g |
3,3-dimethylpent-1-yne |
918-82-1 | 95% | 0.5g |
$891.0 | 2023-09-19 | |
| Enamine | EN300-180546-1g |
3,3-dimethylpent-1-yne |
918-82-1 | 95% | 1g |
$1142.0 | 2023-09-19 | |
| Enamine | EN300-180546-2.5g |
3,3-dimethylpent-1-yne |
918-82-1 | 95% | 2.5g |
$2240.0 | 2023-09-19 | |
| Enamine | EN300-180546-5g |
3,3-dimethylpent-1-yne |
918-82-1 | 95% | 5g |
$3313.0 | 2023-09-19 | |
| Enamine | EN300-180546-10g |
3,3-dimethylpent-1-yne |
918-82-1 | 95% | 10g |
$4914.0 | 2023-09-19 | |
| Aaron | AR006NQB-50mg |
3,3-DIMETHYL-1-PENTYNE |
918-82-1 | 95% | 50mg |
$391.00 | 2025-01-23 |
3,3-dimethylpent-1-yne Related Literature
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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