3-Methoxy Dibenzosuberone

Base Information

Chemical Name:3-Methoxy Dibenzosuberone
CAS No.:17910-76-8
Molecular Formula:C16H14O2
Molecular Weight:238.28116
Hs Code.:
DSSTox Substance ID:DTXSID80603917
Nikkaji Number:J1.067.688F
Wikidata:Q82501528
Mol file:17910-76-8.mol

Synonyms:3-Methoxy Dibenzosuberone;17910-76-8;3-Methoxy-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one;starbld0013529;SCHEMBL5337855;DTXSID80603917;JPZSNCJZMJUYHS-UHFFFAOYSA-N;10,11-Dihydro-3-methoxy-5H-dibenzo[a,d]cyclohepten-5-one;3-Methoxy-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-one;J-011426

Suppliers and Price of 3-Methoxy Dibenzosuberone

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
3-MethoxyDibenzosuberone
25 mg
$ 690.00

American Custom Chemicals Corporation
3-METHOXY DIBENZOSUBERONE 95.00%
5MG
$ 501.24

Total 4 raw suppliers

Chemical Property of 3-Methoxy Dibenzosuberone

Chemical Property:

PSA：26.30000
LogP:3.02480
Solubility.:Chloroform, Dichloromethane, Ethyl Acetate,
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:238.099379685
Heavy Atom Count:18
Complexity:312

Purity/Quality:

97% ^*data from raw suppliers

3-MethoxyDibenzosuberone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC2=C(CCC3=CC=CC=C3C2=O)C=C1
Uses 2,3:6,7-Dibenzosuberan derivative. Intermediate in the preparation of pharmaceutically active Dibenzocycloheptenes. An antidepressant.

Technology Process of 3-Methoxy Dibenzosuberone

There total 6 articles about 3-Methoxy Dibenzosuberone 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: 47.0%

: methyl 5-methoxy-2-phenethylbenzoate

: 17910-76-8
3-Methoxy-dibenzo<1,4>cycloheptadien-5-on

Guidance literature:: With Eaton′s reagent; at 65 ℃;
DOI:10.1021/acs.oprd.1c00081

Reference yield:

: 14525-71-4
2-<3-(4-methoxyphenyl)ethyl>benzoic acid

: 17910-76-8
3-Methoxy-dibenzo<1,4>cycloheptadien-5-on

Guidance literature:: With boron trifluoride diethyl etherate; trifluoroacetic anhydride; In dichloromethane; at 20 ℃; for 5h;

Reference yield:

: 22921-68-2
2-bromo-5-methoxy-benzoic acid

: 17910-76-8
3-Methoxy-dibenzo<1,4>cycloheptadien-5-on

Guidance literature:: Multi-step reaction with 4 steps

1: sulfuric acid / Reflux

2: tetrabutyl-ammonium chloride; triethylamine; tri tert-butylphosphoniumtetrafluoroborate; bis[2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC]bis[μ-(methanesulfonato-κO:κO)]dipalladium / N,N-dimethyl-formamide / 12 h / 100 °C / Inert atmosphere

3: triethylamine; hydrogen; palladium on activated charcoal / methanol; ethyl acetate / 50 °C

4: Eaton′s reagent / 65 °C

With Eaton′s reagent; sulfuric acid; palladium on activated charcoal; bis[2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC]bis[μ-(methanesulfonato-κO:κO)]dipalladium; tetrabutyl-ammonium chloride; hydrogen; triethylamine; tri tert-butylphosphoniumtetrafluoroborate; In methanol; ethyl acetate; N,N-dimethyl-formamide; 2: |Heck Reaction;
DOI:10.1021/acs.oprd.1c00081