Methylcyclopropane

Base Information

• Chemical Name: Methylcyclopropane
• CAS No.: 594-11-6
• Molecular Formula: C4H8
• Molecular Weight: 56.1075
• European Community (EC) Number: 209-825-2
• UNII: LK35EZ3VK8
• DSSTox Substance ID: DTXSID5060481
• Nikkaji Number: J467G
• Wikipedia: Methylcyclopropane
• Wikidata: Q2249673
• Mol file: 594-11-6.mol

Synonyms:1-MC propane;1-methylcyclopropane;methylcyclopropane

Chemical Property of Methylcyclopropane

Chemical Property:

• Vapor Pressure: 1780mmHg at 25°C
• Melting Point: -177.3°C
• Refractive Index: 1.3719 (estimate)
• Boiling Point: 0.5°C at 760 mmHg
• PSA: 0.00000
• Density: 0.766g/cm³
• LogP: 1.41630
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 56.062600255
• Heavy Atom Count: 4
• Complexity: 19.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CC1

Technology Process of Methylcyclopropane

There total 64 articles about Methylcyclopropane 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: 70.0%

silver tetrafluoroborate (14104-20-2) + C5H5(CO)2FeCH2CH2CH(CH3)Br (116840-62-1) → methylcyclopropane (594-11-6)

Guidance literature:

In benzene-d6; byproducts: AgBr; Addn. of a soln. of iron compound to a frozen suspn. of AgBF4 at liquid nitrogen temp., sealing NMR tube under high vac., warming to room temp. and shaking.; Not isolated, NMR, MS, GC.;

Reference yield: 50.0%

(η5-cyclopentadienyl)dicarbonylrhenacyclopentane (87145-50-4) → 1-butylene (106-98-9,9003-28-5) + tricarbonylcyclopentadienylrhenium + methylcyclopropane (594-11-6)

Guidance literature:

In benzene-d6; thermolysis of Re-complex in benzene-d6 in sealed tube at 100°C; identified by (1)H NMR gas chromy.;

DOI:10.1021/ja00359a029

Reference yield: 0.2%

Cyclopropylmethyl-phosphonic acid isopropyl ester 2-thioxo-2H-pyridin-1-yl ester → 1-butylene (106-98-9,9003-28-5) + methylcyclopropane (594-11-6)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); 2-methylpropan-2-thiol; In benzene; Heating;

DOI:10.1021/ja00231a067

upstream raw materials:

methylene

propene

1,3-dichlorobutane

1,3-dibromobutane

Downstream raw materials:

butene-2

2,3-dibromobutane

1,3-dibromobutane

chloro(cyclopropyl)methane

Refernces

Oxidations of Cyclopropane, Methylcyclopropane, and Arenes with the Mono-oxygenase System from Methylococcus capsulatus

10.1039/c39810000482

The research investigates the oxidation capabilities of the mono-oxygenase system from Methylococcus capsulatus on various substrates including cyclopropane, methylcyclopropane, and certain aromatic compounds. The study found that cyclopropane is oxidized to cyclopropanol, while methylcyclopropane yields cyclopropylmethanol. For aromatic substrates, the enzyme shows regioselectivity, oxidizing monosubstituted benzenes to para-substituted phenols and exhibiting an NIH shift in the oxidation of ethylbenzene. The oxidation products were identified using techniques such as gas-liquid chromatography (g.l.c.), thin-layer chromatography (t.l.c.), and nuclear magnetic resonance (n.m.r.) spectroscopy. The results suggest that the enzyme's mechanism involves the conversion of dioxygen into a metal-bound oxygen species capable of inserting into C-H bonds and adding to C=C bonds. The study also noted spatial restrictions at the enzyme's active site, as larger substituents like t-butyl and 1-methylcyclopropyl-benzene were not oxidized.

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