Acetamide, N-[4-[(11beta)-17-(acetyloxy)-3,20-dioxo-19-norpregna-4,9-dien-11-yl]phenyl]-N-methyl-

Base Information

Chemical Name:Acetamide, N-[4-[(11beta)-17-(acetyloxy)-3,20-dioxo-19-norpregna-4,9-dien-11-yl]phenyl]-N-methyl-
CAS No.:244206-56-2
Molecular Formula:C₃₁H₃₇NO₅
Molecular Weight:503.638
Hs Code.:
DSSTox Substance ID:DTXSID601118228

Synonyms:DTXSID601118228

Suppliers and Price of Acetamide, N-[4-[(11beta)-17-(acetyloxy)-3,20-dioxo-19-norpregna-4,9-dien-11-yl]phenyl]-N-methyl-

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
N-DesmethylN-AcetylUlipristalAcetate
10mg
$ 1320.00

TRC
N-DesmethylN-AcetylUlipristalAcetate
1mg
$ 165.00

Total 1 raw suppliers

Chemical Property of Acetamide, N-[4-[(11beta)-17-(acetyloxy)-3,20-dioxo-19-norpregna-4,9-dien-11-yl]phenyl]-N-methyl-

Chemical Property:

Boiling Point:672.1±55.0 °C(Predicted)
Density:1.22±0.1 g/cm3(Predicted)
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:503.26717328
Heavy Atom Count:37
Complexity:1080

Purity/Quality:

95% ^*data from raw suppliers

N-DesmethylN-AcetylUlipristalAcetate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C(=O)C)C)OC(=O)C
Isomeric SMILES:CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C(=O)C)C)OC(=O)C
Uses N-Desmethyl N-Acetyl Ulipristal Acetate is an impurity of Ulipristal (U700800), a selective progesterone receptor modulator. Ulipristal is used as an emergency contraceptive.

Technology Process of Acetamide, N-[4-[(11beta)-17-(acetyloxy)-3,20-dioxo-19-norpregna-4,9-dien-11-yl]phenyl]-N-methyl-

There total 7 articles about Acetamide, N-[4-[(11beta)-17-(acetyloxy)-3,20-dioxo-19-norpregna-4,9-dien-11-yl]phenyl]-N-methyl- 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:

: 96-63-9
trifluoroacetic anhydride

: 159681-67-1
11β-(4-N-methylaminophenyl)-17α-hydroxy-19-norpregna-4,9-diene-3,20-dione

: 244206-56-2
17α-acetoxy-11β-(4-N-acetyl-N-methylaminophenyl)-19-norpregna-4,9-diene-3,20-dione

Guidance literature:: With toluene-4-sulfonic acid; In dichloromethane; at 0 ℃; for 0.333333h; Yield given;
DOI:10.1016/S0039-128X(98)00086-5

Reference yield:

: 6911-87-1,211060-12-7
4-bromo-N-methylaniline

: 244206-56-2
17α-acetoxy-11β-(4-N-acetyl-N-methylaminophenyl)-19-norpregna-4,9-diene-3,20-dione

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) BuLi / 1.) THF, hexane, from -78 to -35 deg C, 5 min, 2.) THF, hexane, -78 deg C, 30 min

2: 1.) Mg, 2.) CuCl, 4.) aq. NH₄Cl

3: 10 percent aq. H₂SO₄ / ethanol / 1 h / Heating

4: p-TsOH / CH₂Cl₂ / 0.33 h / 0 °C

With n-butyllithium; sulfuric acid; ammonium chloride; toluene-4-sulfonic acid; magnesium; copper(l) chloride; In ethanol; dichloromethane;
DOI:10.1016/S0039-128X(98)00086-5

Reference yield:

: 54201-83-1
5α,10α-epoxy-17α-hydroxy-19-norpregn-9(11)-ene-3,20-dione 3,20-bis(ethylene acetal)

: 244206-56-2
17α-acetoxy-11β-(4-N-acetyl-N-methylaminophenyl)-19-norpregna-4,9-diene-3,20-dione

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) Mg, 2.) CuCl, 4.) aq. NH₄Cl

2: 10 percent aq. H₂SO₄ / ethanol / 1 h / Heating

3: p-TsOH / CH₂Cl₂ / 0.33 h / 0 °C

With sulfuric acid; ammonium chloride; toluene-4-sulfonic acid; magnesium; copper(l) chloride; In ethanol; dichloromethane;
DOI:10.1016/S0039-128X(98)00086-5