5-Ethoxy-5H-benzo[7]annulene

Base Information

Chemical Name:5-Ethoxy-5H-benzo[7]annulene
CAS No.:112270-51-6
Molecular Formula:C13H14 O
Molecular Weight:186.24966
Hs Code.:
DSSTox Substance ID:DTXSID00554412
Mol file:112270-51-6.mol

Synonyms:5-Ethoxy-5H-benzocycloheptene;112270-51-6;5-ETHOXY-5H-BENZO[7]ANNULENE;DTXSID00554412;AKOS006291103;AC-20757;AZIRIDINE-2-CARBOXYLICACIDMETHYLESTER

Suppliers and Price of 5-Ethoxy-5H-benzo[7]annulene

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

American Custom Chemicals Corporation
5-ETHOXY-5H-BENZOCYCLOHEPTENE 95.00%
5MG
$ 498.52

Total 1 raw suppliers

Chemical Property of 5-Ethoxy-5H-benzo[7]annulene

Chemical Property:

Vapor Pressure:0.000948mmHg at 25°C
Refractive Index:1.567
Boiling Point:312.8°C at 760 mmHg
Flash Point:138.7°C
PSA：9.23000
Density:1.03g/cm³
LogP:3.34720
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:186.104465066
Heavy Atom Count:14
Complexity:229

Purity/Quality:: 5-ETHOXY-5H-BENZOCYCLOHEPTENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC1C=CC=CC2=CC=CC=C12

Technology Process of 5-Ethoxy-5H-benzo[7]annulene

There total 3 articles about 5-Ethoxy-5H-benzo[7]annulene 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: 94.0%

: 64-17-5
ethanol

: 485-46-1
5H-benzocyclohepten-5-one

: 112270-51-6
5-ethoxy-5H-benzocycloheptene

Guidance literature:: With sodium tetrahydroborate; cerium(III) chloride; 4 A molecular sieve; for 4h; Heating;
DOI:10.1021/jo051777j

Reference yield: 37.8%

: 64-17-5
ethanol

: 67730-14-7
7-chloro-5H-benzocycloheptene

: 112270-50-5
7-ethoxy-7H-benzocycloheptene

: 112270-49-2
7-ethoxy-5H-benzocycloheptene

: 112270-51-6
5-ethoxy-5H-benzocycloheptene

: 112296-49-8
9-ethoxy-5H-benzocycloheptene

Guidance literature:: With sodium ethanolate; In ethanol; at 60 ℃; for 130h; Product distribution; other 7H-benzocycloheptene derivatives, other alkohols, various time, temp., and irradition;
DOI:10.1021/jo00239a012