Detca

Base Information

Chemical Name:Detca
CAS No.:6563-87-7
Molecular Formula:C₂₃H₂₈O₆
Molecular Weight:400.472
Hs Code.:
DSSTox Substance ID:DTXSID80984192
Mol file:6563-87-7.mol

Synonyms:3,17 beta-diacetoxyestra-1,3,5(10)-trien-2-carboxylic acid;3,17-diacetoxyestra-1,3,5(10)-trien-2-carboxylic acid;DETCA

Suppliers and Price of Detca

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 3 raw suppliers

Chemical Property of Detca

Chemical Property:

Vapor Pressure:6.19E-12mmHg at 25°C
Boiling Point:527°C at 760 mmHg
Flash Point:177.9°C
PSA：89.90000
Density:1.27g/cm³
LogP:4.09790
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:400.18858861
Heavy Atom Count:29
Complexity:689

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=C(C=C34)C(=O)O)OC(=O)C)C
Isomeric SMILES:CC(=O)OC1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=C(C=C34)C(=O)O)OC(=O)C)C

Technology Process of Detca

There total 6 articles about Detca 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: 95.0%

: 6563-86-6
2-formylestra-1,3,5⁽¹⁰⁾-trien-3,17-diacetate

: 6563-87-7
3,17β-diacetoxyestra-1,3,5(10)-trien-2-carboxyclic acid

Guidance literature:: With sodium chlorite; sodium dihydrogenphosphate; dihydrogen peroxide; In water; acetonitrile; for 3h;
DOI:10.1002/ardp.2503240902

Reference yield:

: 50-28-2
estradiol

: 6563-87-7
3,17β-diacetoxyestra-1,3,5(10)-trien-2-carboxyclic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 1) EtMgBr / 1) THF, 30 min 2) benzene, HMPA, 80 deg C, 24 h

2: 92 percent / triethylamine / dioxane / Ambient temperature

3: 95 percent / NaClO₂, 30percent H₂O₂, NaH₂PO₄ / acetonitrile; H₂O / 3 h

With sodium chlorite; sodium dihydrogenphosphate; ethylmagnesium bromide; dihydrogen peroxide; triethylamine; In 1,4-dioxane; water; acetonitrile;
DOI:10.1002/ardp.2503240902

Reference yield:

: 6599-97-9
2-formylestradiol

: 6563-87-7
3,17β-diacetoxyestra-1,3,5(10)-trien-2-carboxyclic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / triethylamine / dioxane / Ambient temperature

2: 95 percent / NaClO₂, 30percent H₂O₂, NaH₂PO₄ / acetonitrile; H₂O / 3 h

With sodium chlorite; sodium dihydrogenphosphate; dihydrogen peroxide; triethylamine; In 1,4-dioxane; water; acetonitrile;
DOI:10.1002/ardp.2503240902