Dcadc

Base Information

Chemical Name:Dcadc
CAS No.:119190-36-2
Molecular Formula:C₂₇H₄₁NO₃
Molecular Weight:427.627
Hs Code.:
DSSTox Substance ID:DTXSID50922884
Nikkaji Number:J274.921A
Wikidata:Q76279834
ChEMBL ID:CHEMBL575978
Mol file:119190-36-2.mol

Synonyms:17-(N,N,-diisopropylcarbamoyl)androst-3,5-diene-3-carboxylic acid;DCADC

Suppliers and Price of Dcadc

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 1 raw suppliers

Chemical Property of Dcadc

Chemical Property:

Vapor Pressure:5.47E-15mmHg at 25°C
Boiling Point:580.6°Cat760mmHg
Flash Point:304.9°C
PSA：57.61000
Density:1.11g/cm³
LogP:5.83170
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:427.30864417
Heavy Atom Count:31
Complexity:816

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)N(C(C)C)C(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(=C4)C(=O)O)C)C
Isomeric SMILES:CC(C)N(C(C)C)C(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)C(=O)O)C)C

Technology Process of Dcadc

There total 4 articles about Dcadc 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:

: 74352-89-9
N,N-diisopropyl-3-oxo-4-androstene-17β-carboxamide

: 119190-36-2
17β-(N,N-diisopropylcarbamoyl)androsta-3,5-diene-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 61 percent / 2,6-di-tert-butyl-4-methylpyridine / CH₂Cl₂ / 0.5 h

2: triethylamine / bis(triphenylphosphine)palladium(II) acetate / dimethylformamide / 760 Torr

3: K₂CO₃, H₂O / methanol / Heating

With 2,6-di-tert-butyl-4-methylpyridine; water; potassium carbonate; triethylamine; bis(acetato)bis(triphenylphosphine)palladium⁽⁰⁾; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00165a010

Reference yield:

: 119169-68-5
N,N-diisopropyl-3-<<(trifluoromethyl)sulfonyl>oxy>androsta-3,5-diene-17β-carboxamide

: 119190-36-2
17β-(N,N-diisopropylcarbamoyl)androsta-3,5-diene-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / bis(triphenylphosphine)palladium(II) acetate / dimethylformamide / 760 Torr

2: K₂CO₃, H₂O / methanol / Heating

With water; potassium carbonate; triethylamine; bis(acetato)bis(triphenylphosphine)palladium⁽⁰⁾; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00165a010