9,11-Dehydrodeoxycorticosterone 21-acetate

Base Information

Chemical Name:9,11-Dehydrodeoxycorticosterone 21-acetate
CAS No.:4780-55-6
Molecular Formula:C₂₃H₃₀O₄
Molecular Weight:370.489
Hs Code.:
DSSTox Substance ID:DTXSID10197293
Wikidata:Q83070201
Mol file:4780-55-6.mol

Synonyms:9,11-dehydro-desoxycorticosterone 21-acetate;9,11-dehydro-DOCA;9,11-dehydrodeoxycorticosterone 21-acetate

Suppliers and Price of 9,11-Dehydrodeoxycorticosterone 21-acetate

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 9,11-Dehydrodeoxycorticosterone 21-acetate

Chemical Property:

Vapor Pressure:8.38E-11mmHg at 25°C
Boiling Point:517.2°Cat760mmHg
Flash Point:224.4°C
PSA：60.44000
Density:1.16g/cm³
LogP:4.18680
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:370.21440943
Heavy Atom Count:27
Complexity:760

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC(=O)C1CCC2C1(CC=C3C2CCC4=CC(=O)CCC43C)C
Isomeric SMILES:CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C

Technology Process of 9,11-Dehydrodeoxycorticosterone 21-acetate

There total 14 articles about 9,11-Dehydrodeoxycorticosterone 21-acetate 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:

: 4780-55-6
21-acetoxy-pregna-4,9(11)-diene-3,20-dione

Guidance literature:: With sodium acetate; acetic acid;
DOI:10.1021/ja01105a527

Reference yield:

: 104203-47-6
21-Benzoyloxy-4,9⁽¹¹⁾-pregnadien-3,20-dion

: 4780-55-6
21-acetoxy-pregna-4,9(11)-diene-3,20-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 43 percent / KHCO₃ (saturated aq. sol.) / 3 h / Heating

2: pyridine / benzene / Ambient temperature

With pyridine; potassium hydrogencarbonate; In benzene;

Reference yield:

: 104203-46-5
21-Benzoyloxy-4,9⁽¹¹⁾-pregnadien-3,20-dion-3-ethylendithioacetal

: 4780-55-6
21-acetoxy-pregna-4,9(11)-diene-3,20-dione

Guidance literature:: Multi-step reaction with 3 steps

1: 48 percent / HgO, BF₃-Et₂O / tetrahydrofuran; H₂O / Ambient temperature

2: 43 percent / KHCO₃ (saturated aq. sol.) / 3 h / Heating

3: pyridine / benzene / Ambient temperature

With pyridine; boron trifluoride diethyl etherate; potassium hydrogencarbonate; mercury(II) oxide; In tetrahydrofuran; water; benzene;