N-n-Butyl-N-methyl-11-(3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl)undecanamide

Base Information

Chemical Name:N-n-Butyl-N-methyl-11-(3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl)undecanamide
CAS No.:98007-99-9
Molecular Formula:C₃₄H₅₅NO₃
Molecular Weight:525.816
Hs Code.:
UNII:84LT43726C
DSSTox Substance ID:DTXSID3022376
Nikkaji Number:J367.470C
Wikipedia:ICI-164384
Wikidata:Q27269536
Pharos Ligand ID:XAF3R2F5A5CG
Metabolomics Workbench ID:148345
ChEMBL ID:CHEMBL1222035

Synonyms:ICI 164 384;ICI 164384;ICI-164384;N-n-butyl-N-methyl-11-(3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl)undecanamide

Suppliers and Price of N-n-Butyl-N-methyl-11-(3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl)undecanamide

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
ICI-164384 95.00%
5MG
$ 499.08

Total 0 raw suppliers

Chemical Property of N-n-Butyl-N-methyl-11-(3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl)undecanamide

Chemical Property:

Vapor Pressure:1.63E-18mmHg at 25°C
Boiling Point:663.6°Cat760mmHg
Flash Point:355.1°C
PSA：60.77000
Density:1.039g/cm³
LogP:7.99480
XLogP3:9.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:14
Exact Mass:525.41819462
Heavy Atom Count:38
Complexity:727

Purity/Quality:: ICI-164384 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCN(C)C(=O)CCCCCCCCCCC1CC2=C(C=CC(=C2)O)C3C1C4CCC(C4(CC3)C)O
Isomeric SMILES:CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1CC2=C(C=CC(=C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O

Technology Process of N-n-Butyl-N-methyl-11-(3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl)undecanamide

There total 24 articles about N-n-Butyl-N-methyl-11-(3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl)undecanamide 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: 90.0%

: 153004-26-3
11-((7R,8R,9S,13S,14S,17S)-17-Hydroxy-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-7-yl)-undecanoic acid butyl-methyl-amide

: 98007-99-9
11-(3,17β-dihydroxy-estra-1,3,5(10)-triene-7α-yl)-undecanoic acid n-butyl-methyl-amide

Guidance literature:: With aluminum tri-bromide; ethanethiol;
DOI:10.1016/S0040-4039(97)10180-0

Reference yield: 77.0%

: 862700-67-2
11-(3,17β-di(tetrahydropyranyloxy)-6-keto-estra-1,3,5(10)-triene-7α-yl)-undecanoic acid n-butyl-methyl-amide

: 98007-99-9
11-(3,17β-dihydroxy-estra-1,3,5(10)-triene-7α-yl)-undecanoic acid n-butyl-methyl-amide

Guidance literature:: With triethylsilane; boron trifluoride diethyl etherate; at 0 - 20 ℃;

Reference yield:

: 110-68-9
N-n-butyl-N-methylamine

: 98007-99-9
11-(3,17β-dihydroxy-estra-1,3,5(10)-triene-7α-yl)-undecanoic acid n-butyl-methyl-amide

Guidance literature:: Multi-step reaction with 5 steps

1: 70 percent / DCC / CHCl₃

2: NaI / acetone / Heating

3: 47 percent / 1.) 1M KOt-Bu / 1,2-dimethoxy-ethane; tetrahydrofuran / 0 °C

4: 95 percent / BF₃*Et₂O, Et₃SiH / CH₂Cl₂ / 12 h / 0 °C

5: 90 percent / EtSH, AlBr₃

With triethylsilane; aluminum tri-bromide; boron trifluoride diethyl etherate; potassium tert-butylate; dicyclohexyl-carbodiimide; ethanethiol; sodium iodide; In tetrahydrofuran; 1,2-dimethoxyethane; dichloromethane; chloroform; acetone;
DOI:10.1016/S0040-4039(97)10180-0