3-Deoxyestrone

Base Information

Chemical Name:3-Deoxyestrone
CAS No.:53-45-2
Molecular Formula:C18H22 O
Molecular Weight:254.372
Hs Code.:
NSC Number:22195
UNII:M8WJ87C2AC
DSSTox Substance ID:DTXSID4022498
Nikkaji Number:J79.401E
Wikidata:Q27148579
ChEMBL ID:CHEMBL1627698
Mol file:53-45-2.mol

Synonyms:3-deoxyestrone

Suppliers and Price of 3-Deoxyestrone

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
1,3,5(10)-ESTRATRIEN-17-ONE 95.00%
5MG
$ 495.04

Total 15 raw suppliers

Chemical Property of 3-Deoxyestrone

Chemical Property:

Vapor Pressure:3.4E-06mmHg at 25°C
Boiling Point:387°Cat760mmHg
Flash Point:167.8°C
PSA：17.07000
Density:1.088g/cm³
LogP:4.11180
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:254.167065321
Heavy Atom Count:19
Complexity:387

Purity/Quality:

99% ^*data from raw suppliers

1,3,5(10)-ESTRATRIEN-17-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2=O)CCC4=CC=CC=C34
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC=CC=C34

Technology Process of 3-Deoxyestrone

There total 20 articles about 3-Deoxyestrone 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: 97.0%

: C₂₀H₂₇NO₃S

: 53-45-2
3-deoxyestrone

Guidance literature:: With potassium phosphate; 4,5-dimethyl-1,3-bis-(2,4,6-trimethylphenyl)-3H-imidazol-1-ium chloride; C₄₆H₃₉ClNiP₂; isopropyl alcohol; In toluene; at 80 ℃; for 15.15h;
DOI:10.1055/a-1548-8362

Reference yield: 97.0%

: 92817-04-4
estrone triflate

: 53-45-2
3-deoxyestrone

Guidance literature:: With triethylsilane; 1,3-bis-(diphenylphosphino)propane; palladium diacetate; In N,N-dimethyl-formamide; at 90 ℃; for 2h; Inert atmosphere; Sealed tube;
DOI:10.1021/jacs.5b09308

Reference yield: 96.0%

: 132636-60-3
(8R,9S,13S,14S)-3-(1,1-Dioxo-1H-1λ⁶-benzo[d]isothiazol-3-yloxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one

: 53-45-2
3-deoxyestrone

: 81-07-2
saccharin

Guidance literature:: With sodium hypophosphite; palladium on activated charcoal; In water; benzene; for 0.25h; Heating;
DOI:10.1016/S0040-4039(00)97960-7