| Identification | More | [Name]
Dicyclopropyl ketone | [CAS]
1121-37-5 | [Synonyms]
CYCLOPROPYL KETONE
DICYCLOPROPYL KETONE
DICYCLOPROPYLMETHANONE
Dicyclopropylmethanone 96%
DICYCLOPROPYLMETHYLOXIME
DICYCLOPROPYL METHYL KETONE | [EINECS(EC#)]
214-331-5 | [Molecular Formula]
C7H10O | [MDL Number]
MFCD00001276 | [Molecular Weight]
110.15 | [MOL File]
1121-37-5.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colourless to yellowish liquid | [Melting point ]
44.0-44.5 °C | [Boiling point ]
160-162 °C(lit.)
| [density ]
0.977 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.467(lit.)
| [Fp ]
103 °F
| [storage temp. ]
Store below +30°C. | [form ]
liquid | [Specific Gravity]
0.957 | [Water Solubility ]
Soluble in water. | [BRN ]
774172 | [Henry's Law Constant]
3.1×100 mol/(m3Pa) at 25℃, Bagno et al. (1991) | [InChI]
InChI=1S/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H2 | [InChIKey]
BIPUHAHGLJKIPK-UHFFFAOYSA-N | [SMILES]
C(C1CC1)(C1CC1)=O | [CAS DataBase Reference]
1121-37-5(CAS DataBase Reference) | [NIST Chemistry Reference]
Methanone, dicyclopropyl-(1121-37-5) |
| Safety Data | Back Directory | [Hazard Codes ]
F,Xn | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R5:Heating may cause an explosion. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S3:Keep in a cool place . | [RIDADR ]
UN 1224 3/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Harmful/Flammable | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29142900 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colourless to yellowish liquid | [Uses]
Dicyclopropyl Ketone is used as a reagent in the synthesis of a new class of potent and selective agonists of dimeric carbamoylguanidine-type histamine H2 receptor ligands. Also used in the preparation of chemical space analogs of PNU-282,987 and SSR180711, which have nicotinic receptor activity. | [Preparation]
Preparation of Dicyclopropyl ketone
Reaction: To a one liter three-necked flask fitted with a reflux condenser and a metal Hershberg stirrer there was added 600 ml. of 20% sodium hydroxide and 165g . (0.9mole) of 1,7 -dichloro-4-heptanone. The mixture was refluxed for 30 minutes with vigorous stirring, then steam distilled until the characteristic odor of dicyclopropyl ketone was absent from the distillate. The distillate was then saturated with potassium carbonate, the upper layer separated and the water layer extracted once with ether. The combined organic layers were dried over potassium carbonate. after removal of the ether there was dist illed 69g. (70%) of dicyclopropyl ketone, b.p . 69° at 20 mm, nD25 1.4648-1.4654. | [References]
[1] G A Olah, G Liang, G K Prakash. “The unusual Favorskii-Nazarov reaction of dicyclopropyl ketone.” Proceedings of the National Academy of Sciences of the United States of America (1976): 2945–6.
[2] Gerd Schrumpf, Thomas Alshuth. “Conformational equilibrium of dicyclopropyl ketone.” Spectrochimica acta. Part A: Molecular spectroscopy 43 7 (1987): Pages 939-942.
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| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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