7-Methoxycycloheptatriene

Base Information

• Chemical Name: 7-Methoxycycloheptatriene
• CAS No.: 1714-38-1
• Molecular Formula: C8H10 O
• Molecular Weight: 122.167
• NSC Number: 121193
• UNII: YA9B82Z6JQ
• DSSTox Substance ID: DTXSID30169078
• Nikkaji Number: J708.949J
• Mol file: 1714-38-1.mol

Synonyms:7-Methoxycycloheptatriene;1,3,5-Cycloheptatriene, 7-methoxy-;1714-38-1;Ether, 2,4,6-cycloheptatrien-1-yl methyl;7-Methoxy-1,3,5-cycloheptatriene;NSC-121193;7-Methoxycyclohepta-1,3,5-triene;7-Methoxytropilidene;NSC121193;YA9B82Z6JQ;7-Methoxy-1,5-cycloheptatriene;SCHEMBL10905018;DTXSID30169078;1,5-Cycloheptatriene, 7-methoxy-;1-Methoxy-2,4,6-cycloheptatriene;7-methoxy-cyclohepta-1,3,5-triene;Ether,4,6-cycloheptatrien-1-yl methyl;NSC 121193

Chemical Property of 7-Methoxycycloheptatriene

Chemical Property:

• Vapor Pressure: 0.881mmHg at 25°C
• Boiling Point: 187.1°C at 760 mmHg
• Flash Point: 58.6°C
• Density: 0.94g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 122.073164938
• Heavy Atom Count: 9
• Complexity: 138

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1C=CC=CC=C1

Technology Process of 7-Methoxycycloheptatriene

There total 3 articles about 7-Methoxycycloheptatriene 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: 15.0%

methanol (67-56-1) + Cyclohepta-1,3,5-triene (544-25-2) → 7-methoxy-1,3,5-cycloheptatriene (1714-38-1) + benzaldehyde dimethyl acetal (1125-88-8)

Guidance literature:

With sodium methylate; tetraethylammonium tosylate; at -10 - 0 ℃; anodic oxidation;

DOI:10.1016/S0040-4039(00)80148-3

Reference yield:

methanol (67-56-1) + cycloheptatrienyltriphenylphosphonium tetrafluoroborate → 7-methoxy-1,3,5-cycloheptatriene (1714-38-1) + triphenylphosphine (603-35-0)

Guidance literature:

With sodium hydroxide; for 0.0166667h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1016/S0040-4039(00)96401-3

Reference yield:

tropylium cation (26811-28-9) + bis-(p-N,N-dimethylaminophenyl)phenylmethyl methyl ether (32315-05-2) → 7-methoxy-1,3,5-cycloheptatriene (1714-38-1) + malachit green (10309-95-2,14426-28-9)

Guidance literature:

In nitromethane; ethyl acetate; at 25 ℃; Rate constant; different solvent;

upstream raw materials:

methanol

tropylium cation

bis-(p-N,N-dimethylaminophenyl)phenylmethyl methyl ether

Cyclohepta-1,3,5-triene

Downstream raw materials:

7-(4-chlorophenyl)-cyclohepta-1,3,5-triene

7-(m-fluorophenyl)tropylidene

7-<3-Brom-phenyl>-tropiliden

1-bromo-4-(cyclohepta-2,4,6-trien-1-yl)benzene

Refernces

• 1、 Shono, Tatsuya,Nozoe, Tetsuo,Maekawa, Hirofumi,Kashimura, Shigenori. "ANODIC TRANSFORMATION OF CYCLOHEPTATRIENE TO TROPONE AND TROPOLONE". . p. 555 - 558. Retrieved 2007/10/02.