Dicyclopropyl ketone

Base Information

• Chemical Name: Dicyclopropyl ketone
• CAS No.: 1121-37-5
• Molecular Formula: C7H10O
• Molecular Weight: 110.156
• Hs Code.: 29142900
• European Community (EC) Number: 214-331-5
• NSC Number: 49148
• UNII: FGQ92KB360
• DSSTox Substance ID: DTXSID70149910
• Nikkaji Number: J80.161E
• Wikidata: Q72468788
• Mol file: 1121-37-5.mol

Synonyms:dicyclopropylketone

Chemical Property of Dicyclopropyl ketone

Chemical Property:

• Appearance/Colour: clear colourless to yellowish liquid
• Vapor Pressure: 2.32mmHg at 25°C
• Melting Point: 44.0-44.5 °C
• Refractive Index: n20/D 1.467(lit.)
• Boiling Point: 161 °C at 760 mmHg
• Flash Point: 39.4 °C
• PSA: 17.07000
• Density: 1.174 g/cm³
• LogP: 1.37550
• Storage Temp.: Store below +30°C.
• Water Solubility.: Soluble in water.
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 110.073164938
• Heavy Atom Count: 8
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

Dicyclopropyl Ketone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F; Xn
• Hazard Codes: F,Xn
• Statements: 10-36/37/38-20/21/22-5
• Safety Statements: 16-36-26-3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)C2CC2
• 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.

Technology Process of Dicyclopropyl ketone

There total 45 articles about Dicyclopropyl ketone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

dicyclopropylmethanethione (38381-24-7) → dicyclopropyl ketone (1121-37-5)

Guidance literature:

With ozone; In diethyl ether; at -70 ℃;

DOI:10.1039/P19910003043

Reference yield: 99.0%

dicyclopropylmethanol (14300-33-5) → dicyclopropyl ketone (1121-37-5)

Guidance literature:

With tert.-butylnitrite; oxygen; acetic acid; In toluene; at 50 ℃; for 5h;

DOI:10.1039/c6ra15483b

Reference yield: 76.0%

bis(α-bromocyclopropyl) ketone (60538-60-5) → α-bromocyclopropyl cyclopropyl ketone (74605-55-3) + dicyclopropyl ketone (1121-37-5)

Guidance literature:

In acetic acid; electrochemical reduction (1.0 M NaOAc);

DOI:10.1021/jo00320a052

upstream raw materials:

1,7-dichloro-4-heptanone

(Bromcyclopropylmethylen)cyclopropan

ethanol

4-cyclopropylbut-3-yn-1-yl triflate

Downstream raw materials:

dicyclopropylmethanol

dicyclopropylmethylcarbinol

Bis(cyclopropyliden)methan

ethyl 3-hydroxy-3,3-dicyclopropylpropanoate