1-(1-Methylcyclopropyl)propan-2-one

Base Information

• Chemical Name: 1-(1-Methylcyclopropyl)propan-2-one
• CAS No.: 13905-14-1
• Molecular Formula: C7H12O
• Molecular Weight: 112.172
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID70508008
• Wikidata: Q82364673
• Mol file: 13905-14-1.mol

Synonyms:1-(1-Methylcyclopropyl)propan-2-one;13905-14-1;1-(1-methylcyclopropyl)acetone;2-Propanone, 1-(1-methylcyclopropyl)-;SCHEMBL1217481;DTXSID70508008;MFCD02632330;AKOS006280297;1-(1-methyl-cyclopropyl)-propan-2-one;BS-35702;1-(1-methylcyclopropyl)acetone, AldrichCPR;EN300-1600660

Chemical Property of 1-(1-Methylcyclopropyl)propan-2-one

Chemical Property:

• Vapor Pressure: 10.429mmHg at 25°C
• Boiling Point: 128.869oC at 760 mmHg
• Flash Point: 28.732oC
• PSA: 17.07000
• Density: 0.913g/cm3
• LogP: 1.76560
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 112.088815002
• Heavy Atom Count: 8
• Complexity: 112

Purity/Quality:

98% ^*data from raw suppliers

1-(1-methylcyclopropyl)acetone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1(CC1)C

Technology Process of 1-(1-Methylcyclopropyl)propan-2-one

There total 8 articles about 1-(1-Methylcyclopropyl)propan-2-one 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:

diiodomethane (75-11-6) + Pent-3-yn-2-ol (57984-70-0,58072-60-9,90242-65-2,27301-54-8) → 4-methyl-pent-3-en-2-one (141-79-7) + (methyl-1 cyclopropyl)-1 propanone-2 (13905-14-1)

Guidance literature:

With copper; zinc; In diethyl ether;

Reference yield:

→ (methyl-1 cyclopropyl)-1 propanone-2 (13905-14-1)

Guidance literature:

With 1-bromo-butane; diethyl ether; magnesium; at 0 ℃; weitere Reagentien: Kohlenwasserstoff, wss. Ameisensaeure und Ozon;

DOI:10.1021/ja01192a032

Reference yield:

4-methyl-4-penten-2-ol (2004-67-3) → (methyl-1 cyclopropyl)-1 propanone-2 (13905-14-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Zn-Cu / diethyl ether / Heating

2: CrO₃

With chromium(VI) oxide; copper; zinc; In diethyl ether;

upstream raw materials:

4-methyl-pent-3-en-2-one

diiodomethane

Pent-3-yn-2-ol

1-<1-Methyl-cyclopropyl>-propanol-(2)