Cyclopropylacetylene - CAS 6746-94-7
Catalog: |
BB033284 |
Product Name: |
Cyclopropylacetylene |
CAS: |
6746-94-7 |
Synonyms: |
ethynylcyclopropane |
IUPAC Name: | ethynylcyclopropane |
Description: | Cyclopropylacetylene (CAS# 6746-94-7) is used in a variety of chemical reactions in organic syntheses. Used in the synthesis of BACE1 inhibitors used in the treatment of Alzheimer's disease. It is also used in cycloaddition reactions and the synthesis of fluoromethylsydnones. |
Molecular Weight: | 66.10 |
Molecular Formula: | C5H6 |
Canonical SMILES: | C#CC1CC1 |
InChI: | InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2 |
InChI Key: | NPTDXPDGUHAFKC-UHFFFAOYSA-N |
Boiling Point: | 79-65 °C |
Purity: | > 98.0 % (GC) |
Density: | 0.7801 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
MDL: | MFCD02181090 |
LogP: | 1.02960 |
GHS Hazard Statement: | H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P310, P321, P332+P313, P362, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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CN-113019297-A | Raw material mixing device for producing cyclopropynyl | 20210531 |
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PMID | Publication Date | Title | Journal |
21522327 | 20110205 | 6-Chloro-2-cyclo-propyl-4-(trifluoro-meth-yl)quinoline | Acta crystallographica. Section E, Structure reports online |
22655237 | 20110101 | Effects of a fluorescent Myosin light chain phosphatase inhibitor on prostate cancer cells | Frontiers in oncology |
21578886 | 20091121 | (S)-6-Chloro-4-cyclo-propyl-ethynyl-4-trifluoro-methyl-1H-3,1-benzoxazin-2(4H)-one | Acta crystallographica. Section E, Structure reports online |
19093864 | 20090121 | On the mechanism of nitrosoarene-alkyne cycloaddition | Journal of the American Chemical Society |
18045202 | 20071101 | Design, synthesis and pharmacological evaluation of HIV-1 reverse transcriptase inhibition of new indolin-2-ones | Medicinal chemistry (Shariqah (United Arab Emirates)) |
Complexity: | 69.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 66.0469501914 |
Formal Charge: | 0 |
Heavy Atom Count: | 5 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 66.0469501914 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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