2,7-Dibenzylidenecycloheptanone

Base Information

Chemical Name:2,7-Dibenzylidenecycloheptanone
CAS No.:899-98-9
Molecular Formula:C21H20O
Molecular Weight:288.389
Hs Code.:2914399090
NSC Number:649638
Nikkaji Number:J1.006.176H,J108.125J
ChEMBL ID:CHEMBL147127
Mol file:899-98-9.mol

Synonyms:2,7-Dibenzylidenecycloheptanone;NSC649638;Cycloheptanone, 2,7-bis(phenylmethylene)-;899-98-9;Cycloheptanone, 2,7-dibenzylidene-;(2E,7E)-2,7-Dibenzylidenecycloheptanone;2,7-Dibenzylidinecycloheptanone;CHEMBL147127;CDWCNIVDIALVDN-MXWIWYRXSA-N;e,e-2,7-dibenzylidenecycloheptanone;NSC-649638

Suppliers and Price of 2,7-Dibenzylidenecycloheptanone

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

Total 5 raw suppliers

Chemical Property of 2,7-Dibenzylidenecycloheptanone

Chemical Property:

Vapor Pressure:1.99E-09mmHg at 25°C
Boiling Point:481.5°Cat760mmHg
Flash Point:212.1°C
PSA：17.07000
Density:1.125g/cm³
LogP:5.29670
XLogP3:5.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:288.151415257
Heavy Atom Count:22
Complexity:391

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1
Isomeric SMILES:C1C/C(=C\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=CC=C3)/CC1

Technology Process of 2,7-Dibenzylidenecycloheptanone

There total 7 articles about 2,7-Dibenzylidenecycloheptanone 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: 59.0%

: 100-52-7
benzaldehyde

: 502-42-1
cycloheptanone

: 899-98-9
2,7-dibenzylidenecycloheptanone

Guidance literature:: With toluene-4-sulfonic acid; for 0.1h; microwave irradiation;
DOI:10.1080/00397919908086000

Reference yield:

: 100-52-7
benzaldehyde

: 502-42-1
cycloheptanone

: 899-98-9
2,7-dibenzylidenecycloheptanone

: 42063-01-4
2-benzylidene-cycloheptanone

Guidance literature:: With iron(III) 1,3,5-benzenetricarboxylate; In toluene; at 110 ℃; for 24h;
DOI:10.1002/adsc.200900747

Reference yield:

: 505-48-6
octane-1,8-dioic acid

: 899-98-9
2,7-dibenzylidenecycloheptanone

Guidance literature:: Multi-step reaction with 2 steps

1: iron-powder; Ba(OH)2

2: methanol. sodium methylate / 60 - 65 °C

With barium dihydroxide; sodium methylate; iron;