Cyclopropylphenylmethane

Base Information

• Chemical Name: Cyclopropylphenylmethane
• CAS No.: 1667-00-1
• Molecular Formula: C10H12
• Molecular Weight: 132.205
• Hs Code.: 2902909090
• European Community (EC) Number: 216-782-3
• UNII: LX9U4V2RJW
• DSSTox Substance ID: DTXSID60168155
• Nikkaji Number: J195.306K
• Wikidata: Q83037674
• Mol file: 1667-00-1.mol

Synonyms:Cyclopropylphenylmethane;1667-00-1;Benzylcyclopropane;(Cyclopropylmethyl)benzene;Benzene, (cyclopropylmethyl)-;Cyclopropylmethylbenzene;EINECS 216-782-3;2-Fluoro Adenosine;Cyclopropyl phenylmethane;LX9U4V2RJW;(Cyclopropylmethyl)benzene #;DTXSID60168155;AKOS022181731;FT-0633746;EN300-1588450

Chemical Property of Cyclopropylphenylmethane

Chemical Property:

• Vapor Pressure: 0.777mmHg at 25°C
• Melting Point: 4.8°C
• Refractive Index: 1.5131-1.5151
• Boiling Point: 189.7°Cat760mmHg
• Flash Point: 59.1°C
• PSA: 0.00000
• Density: 1.005g/cm³
• LogP: 2.63910
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 132.093900383
• Heavy Atom Count: 10
• Complexity: 96.6

Purity/Quality:

98%min ^*data from raw suppliers

Cyclopropylphenylmethane 99% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aromatic Hydrocarbons
• Canonical SMILES: C1CC1CC2=CC=CC=C2

Technology Process of Cyclopropylphenylmethane

There total 30 articles about Cyclopropylphenylmethane 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: 90.0%

benzonitrile (100-47-0) + cyclopropylcarbinyl bromide (7051-34-5) → benzylcyclopropane (1667-00-1)

Guidance literature:

With potassium; In ammonia; at -33 ℃;

DOI:10.1016/0040-4039(95)01685-B

Reference yield: 90.0%

cyclopropylcarbinyl bromide (7051-34-5) + phenylmagnesium bromide (100-58-3) → benzylcyclopropane (1667-00-1)

Guidance literature:

With 1-Phenylprop-1-yne; copper dichloride; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃;

DOI:10.1021/jacs.8b05240

Reference yield: 90.0%

phenylmagnesium bromide (100-58-3) + chloro(cyclopropyl)methane (5911-08-0) → benzylcyclopropane (1667-00-1)

Guidance literature:

With 1-Phenylprop-1-yne; copper dichloride; In tetrahydrofuran; at 70 ℃; for 12h;

DOI:10.1021/jacs.0c00169

upstream raw materials:

allylbenzene

diiodomethane

cyclopropyl phenyl ketone

1-phenyl-1-cyclopropylmethanol

Downstream raw materials:

formate of 1-phenyl-2-butanol

trifluoroacetate of 1-phenyl-2-butanol

α-methoxybenzylcyclopropane

1-butylbenzene

Refernces

• 1、 Antil, Neha,Kumar, Ajay,Akhtar, Naved,Newar, Rajashree,Begum, Wahida,Manna, Kuntal. "Metal-Organic Framework-Confined Single-Site Base-Metal Catalyst for Chemoselective Hydrodeoxygenation of Carbonyls and Alcohols". supporting information. p. 9029 - 9039. Retrieved 2021/06/28.
• 2、 Xie, Weilong,Heo, Joon,Kim, Dongwook,Chang, Sukbok. "Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source". supporting information. p. 7487 - 7496. Retrieved 2020/08/06.