1-Methoxy-1,3,5-cycloheptatriene

Base Information

Chemical Name:1-Methoxy-1,3,5-cycloheptatriene
CAS No.:1728-32-1
Molecular Formula:C8H10 O
Molecular Weight:122.167
Hs Code.:2909209000
UNII:H7GH82U4ZS
DSSTox Substance ID:DTXSID20169401
Nikkaji Number:J325.173J
Wikidata:Q51183115
Mol file:1728-32-1.mol

Synonyms:1-MCHT;1-methoxy-1,3,5-cycloheptatriene

Suppliers and Price of 1-Methoxy-1,3,5-cycloheptatriene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1-Methoxycycloheptatriene
250mg
$ 165.00

Medical Isotopes, Inc.
1-Methoxycycloheptatriene
2.5 g
$ 2200.00

American Custom Chemicals Corporation
1,3,5-CYCLOHEPTATRIENE, 1-METHOXY- 95.00%
5MG
$ 503.29

Total 5 raw suppliers

Chemical Property of 1-Methoxy-1,3,5-cycloheptatriene

Chemical Property:

Vapor Pressure:0.302mmHg at 25°C
Boiling Point:208.9°Cat760mmHg
Flash Point:72.5°C
PSA：9.23000
Density:0.95g/cm³
LogP:2.03280
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:122.073164938
Heavy Atom Count:9
Complexity:163

Purity/Quality:

99% ^*data from raw suppliers

1-Methoxycycloheptatriene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC=CC1
General Description 1,3,5-Cycloheptatriene, 1-methoxy- (also known as 1-Methoxy-1,3,5-cycloheptatriene or 1-Methoxytropilidene) is a substituted cycloheptatriene derivative featuring a methoxy group at the 1-position. 1,3,5-Cycloheptatriene, 1-methoxy- is of interest in organic chemistry due to its potential reactivity as a non-aromatic conjugated system, which may participate in cycloaddition or rearrangement reactions. The methoxy substituent can influence the electronic properties of the triene system, potentially altering its stability or reactivity in synthetic applications. No further specific conclusions can be drawn without additional context from the literature.

Technology Process of 1-Methoxy-1,3,5-cycloheptatriene

There total 7 articles about 1-Methoxy-1,3,5-cycloheptatriene 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: 85.0%

: 1714-40-5
3-methoxy-1,3,5-cycloheptatriene

: 1728-32-1
1-methoxycyclohepta-1,3,5-triene

Guidance literature:: at 170 ℃; for 5h;
DOI:10.1016/S0040-4020(01)87049-6

Reference yield:

methanolic hydrogen chloride: methanolic hydrogen chloride

: 1714-40-5
3-methoxy-1,3,5-cycloheptatriene

: 1728-32-1
1-methoxycyclohepta-1,3,5-triene

Guidance literature:: With hydrogenchloride; In methanol;

Reference yield:

: 544-25-2
Cyclohepta-1,3,5-triene

: 1728-32-1
1-methoxycyclohepta-1,3,5-triene

Guidance literature:: Multi-step reaction with 3 steps

1: 71 percent / Et₄NOTs, NaOMe / -10 - 0 °C / carbon rod electrodes, 5 A, 3F/mol

2: 98 percent / 1 h / 150 °C

3: 85 percent / 5 h / 170 °C

With sodium methylate; tetraethylammonium tosylate;
DOI:10.1016/S0040-4020(01)87049-6