Etynodiol

Base Information

Chemical Name:Etynodiol
CAS No.:1231-93-2
Molecular Formula:C20H28 O2
Molecular Weight:300.441
Hs Code.:
European Community (EC) Number:214-971-5
DSSTox Substance ID:DTXSID50859606
Pharos Ligand ID:BHLBSDZ815MB
Wikipedia:Etynodiol
Mol file:1231-93-2.mol

Synonyms:Etynodiol;DTXSID50859606;19-Norpregn-4-en-20-yne-3,17-diol;NS00006851;17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol

Suppliers and Price of Etynodiol

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

TRC
Ethynodiol
250mg
$ 1455.00

Labseeker
etynodiol 98
50g
$ 1833.00

American Custom Chemicals Corporation
ETYNODIOL 95.00%
100MG
$ 727.65

American Custom Chemicals Corporation
ETYNODIOL 95.00%
25MG
$ 654.89

Total 12 raw suppliers

Chemical Property of Etynodiol

Chemical Property:

Vapor Pressure:9.46E-10mmHg at 25°C
Melting Point:212.5°C
Refractive Index:1.4800 (estimate)
Boiling Point:444°Cat760mmHg
PKA:13.10±0.60(Predicted)
Flash Point:201.9°C
PSA：40.46000
Density:1.15g/cm³
LogP:3.28430
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:300.208930132
Heavy Atom Count:22
Complexity:555

Purity/Quality:

98%min ^*data from raw suppliers

Ethynodiol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(CCC34)O
Uses Ethynodiol is a steroidal progestin that inhibits luciferase expression.

Technology Process of Etynodiol

There total 12 articles about Etynodiol 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:

: 68-22-4
norethisterone

: 1231-93-2
ethynodiol

Guidance literature:: With lithium tri-t-butoxyaluminum hydride; In tetrahydrofuran;
DOI:10.1016/0039-128X(67)90119-5

Reference yield:

: Acetic acid (8R,9S,13S,14S)-17-cyano-3-methoxy-13-methyl-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl ester

: 1231-93-2
ethynodiol

Guidance literature:: Multi-step reaction with 4 steps

1: aq. AcOH

2: aq. HCl / acetic acid

3: (i) Li, THF, (ii) aq. Na₂CO₃, MeOH

4: (i) H₂NCH₂CH₂NH₂, THF, (ii) /BRN= 7270032/

With hydrogenchloride; acetic acid; In acetic acid;
DOI:10.1016/0039-128X(67)90119-5

Reference yield:

: 17006-19-8
Acetic acid (8R,9S,13S,14S)-17-cyano-13-methyl-3-oxo-2,3,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester

: 1231-93-2
ethynodiol

Guidance literature:: Multi-step reaction with 3 steps

1: aq. HCl / acetic acid

2: (i) Li, THF, (ii) aq. Na₂CO₃, MeOH

3: (i) H₂NCH₂CH₂NH₂, THF, (ii) /BRN= 7270032/

With hydrogenchloride; In acetic acid;
DOI:10.1016/0039-128X(67)90119-5