Methyl 1-methylcyclopropyl ketone

Base Information

• Chemical Name: Methyl 1-methylcyclopropyl ketone
• CAS No.: 1567-75-5
• Molecular Formula: C6H10O
• Molecular Weight: 98.1448
• Hs Code.: 29142900
• European Community (EC) Number: 216-369-8
• NSC Number: 97001
• UNII: 9Z68REL6UC
• DSSTox Substance ID: DTXSID00166115
• Nikkaji Number: J80.235B
• Wikidata: Q72492793
• Mol file: 1567-75-5.mol

Synonyms:Methyl 1-methylcyclopropyl ketone;1567-75-5;1-(1-Methylcyclopropyl)ethanone;1-(1-methylcyclopropyl)ethan-1-one;Ethanone, 1-(1-methylcyclopropyl)-;1-Acetyl-1-methylcyclopropane;methyl1-methylcyclopropylketone;MFCD00010245;9Z68REL6UC;AI3-37706;1-(1-methyl-cyclopropyl)-ethanone;(1-Methylcyclopropyl)(methyl)ketone;EINECS 216-369-8;NSC-97001;1-methylcyclopropyl methyl ketone;NSC97001;UNII-9Z68REL6UC;DTXSID00166115;Ketone, methyl 1-methylcyclopropyl;methyl 1-methyl cyclopropyl ketone;1-(1-Methylcyclopropyl)ethanone #;AMY37296;NSC 97001;AKOS001364616;AT13304;CS-W000089;PB40877;Methyl 1-methylcyclopropyl ketone, 95%;(1S,2S)-DimEtamino-phenyl-propane-1-ol;SY101123;A3444;FT-0628367;EN300-17644;J-640356;J-800359;Q-101924;Z56969338

Chemical Property of Methyl 1-methylcyclopropyl ketone

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 11.6mmHg at 25°C
• Refractive Index: n20/D 1.434(lit.)
• Boiling Point: 126.499 °C at 760 mmHg
• Flash Point: 23.889 °C
• PSA: 17.07000
• Density: 0.954 g/cm³
• LogP: 1.37550
• Storage Temp.: Flammables area
• Water Solubility.: insoluble
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 101

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 1-methylcyclopropyl ketone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-22
• Safety Statements: 16-29-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(CC1)C
• Uses: Methyl 1-methylcyclopropyl ketone is used as a pharmaceutical intermediate and an intermediate in organic synthesis.

Technology Process of Methyl 1-methylcyclopropyl ketone

There total 15 articles about Methyl 1-methylcyclopropyl 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: 75.0%

5-chloro-3-methylpentane-2-one (1187-81-1) → 1-(1-methylcyclopropyl)ethanone (1567-75-5)

Guidance literature:

With sodium hydroxide; In water; for 4h; Heating;

Reference yield: 73.0%

1-Methyl-cyclopropanoic acid (6914-76-7) + methyllithium (917-54-4) → 1-(1-methylcyclopropyl)ethanone (1567-75-5)

Guidance literature:

In diethyl ether; 1.) 0 deg C; 2.) 2 h, reflux;

Reference yield:

N-nitroso-N-cyclopropylurea (10575-90-3) + acetone (67-64-1) → methylallylether (627-40-7) + 1-(1-methylcyclopropyl)ethanone (1567-75-5) + 2,2-Dimethyl-1-oxaspiro<2.2>pentan (68843-97-0) + 3-(Methoxymethyl)-2-methyl-3-buten-2-ol

Guidance literature:

With potassium carbonate; In methanol; at 10 ℃; for 0.666667h; Yield given. Further byproducts given. Yields of byproduct given;

upstream raw materials:

3-acetyl-3-methyl-dihydro-furan-2-one

1,2-epoxy-1,2-dimethyl-cyclobutane

5-chloro-3-methylpentane-2-one

1-Methyl-cyclopropanoic acid

Downstream raw materials:

1-Methyl-cyclopropanoic acid

(E)-3-(4-methoxyphenyl)-1-(1-methylcyclopropyl)prop-2-en-1-one

methyl 3-(1-methylcyclopropyl)-3-oxopropanoate

3-bromo-2-methyl-1-methyl-1-propene

Refernces

• 1、 Clennan, Edward L.,Zhou, Wenhui,Chan, Jacqueline. "Mechanistic organic chemistry in a microreactor. Zeolite-controlled photooxidations of organic sulfides". . p. 9368 - 9378. Retrieved 2007/10/03.
• 2、 Silva, Anthony N. De,Francis, Craig L.,Ward, A. David. "Grignard Addition Reactions to 1,4-Difunctionalized But-2-ynes". . p. 1657 - 1672. Retrieved 2007/10/02.