5,7-Dimethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-one

Base Information

Chemical Name:5,7-Dimethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-one
CAS No.:77941-92-5
Molecular Formula:C13H16 O3
Molecular Weight:220.26434
Hs Code.:2914509090
DSSTox Substance ID:DTXSID40543901
Mol file:77941-92-5.mol

Synonyms:77941-92-5;5,7-Dimethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-one;Clomipraminehydrochloride;DTXSID40543901;AKOS015964123

Suppliers and Price of 5,7-Dimethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-one

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
5,7-DIMETHOXY-2,3-DIMETHYL-INDAN-1-ONE 95.00%
5MG
$ 505.95

Total 6 raw suppliers

Chemical Property of 5,7-Dimethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-one

Chemical Property:

Vapor Pressure:5.22E-05mmHg at 25°C
Refractive Index:1.516
Boiling Point:347.9°C at 760 mmHg
Flash Point:155.4°C
PSA：35.53000
Density:1.084g/cm³
LogP:2.63970
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:220.109944368
Heavy Atom Count:16
Complexity:276

Purity/Quality:

99% ^*data from raw suppliers

5,7-DIMETHOXY-2,3-DIMETHYL-INDAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(C(=O)C2=C1C=C(C=C2OC)OC)C

Technology Process of 5,7-Dimethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-one

There total 2 articles about 5,7-Dimethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-one 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: 81.0%

: 80-59-1
Tiglic acid

: 151-10-0
1,3-Dimethoxybenzene

: 100560-75-6
(E)-1-(2,4-dimethoxyphenyl)-2-methylbut-2-en-1-one

: 77941-92-5
5,7-dimethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-one

Guidance literature:: With 5.25Co⁽²⁺⁾*2C₂₉H₁₄N₂O₈^(4-)*10H₂O*5C₃H₇NO*CHO₂^(1-)*0.5HO^(1-)*0.5O^(2-); trifluoroacetic anhydride; In 1,2-dichloro-ethane; at 90 ℃; for 5h; Reagent/catalyst; Catalytic behavior;
DOI:10.1002/chem.201704749

Reference yield: 60.0%

: 13201-46-2
2-methylbut-2-enoic acid

: 151-10-0
1,3-Dimethoxybenzene

: C₁₃H₁₆O₃

: 77941-92-5
5,7-dimethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-one

Guidance literature:: With 2C₉H₄NO₆^(3-)*3Fe⁽³⁺⁾*6H₂O*3HO^(1-); trifluoroacetic anhydride; In 1,2-dichloro-ethane; at 90 ℃; for 5h;
DOI:10.1021/acs.inorgchem.8b01421

Reference yield:

: 77941-92-5
5,7-dimethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-one

: 100560-66-5
polygonolide

Guidance literature:: Multi-step reaction with 4 steps

1: 97.5 percent / p-toluenesulphonic acid / 20 h / 100 °C

2: 1.) O₃, 2.) dimethylsulphide / MeOH, CH₂Cl₂; 1.) -78 deg C, 1.5 h, 2.) room t.

3: 99.6 percent / 70percent HClO₄/Ac₂O / ethyl acetate / 0.5 h / Ambient temperature

4: 86.2 percent / BCl₃ / CH₂Cl₂ / 0.25 h / Ambient temperature

With perchloric acid; dimethylsulfide; acetic anhydride; boron trichloride; ozone; toluene-4-sulfonic acid; In dichloromethane; ethyl acetate;
DOI:10.1016/S0031-9422(00)85513-2