N-n-butyl-N-methyl-11-(3'-(benzoyloxy)-17'-oxoestra-1',3',5'(10')-trien-7'α-yl)undecanamide

Base Information

• Chemical Name: N-n-butyl-N-methyl-11-(3'-(benzoyloxy)-17'-oxoestra-1',3',5'(10')-trien-7'α-yl)undecanamide
• CAS No.: 131811-95-5
• Molecular Formula: C₄₁H₅₇NO₄
• Molecular Weight: 627.908
• Mol file: 131811-95-5.mol

Synonyms:N-n-butyl-N-methyl-11-(3'-(benzoyloxy)-17'-oxoestra-1',3',5'(10')-trien-7'α-yl)undecanamide

Chemical Property of N-n-butyl-N-methyl-11-(3'-(benzoyloxy)-17'-oxoestra-1',3',5'(10')-trien-7'α-yl)undecanamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-n-butyl-N-methyl-11-(3'-(benzoyloxy)-17'-oxoestra-1',3',5'(10')-trien-7'α-yl)undecanamide

There total 4 articles about N-n-butyl-N-methyl-11-(3'-(benzoyloxy)-17'-oxoestra-1',3',5'(10')-trien-7'α-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%

11-(3,17β-dihydroxy-estra-1,3,5(10)-triene-7a-yl)-undecanoic acid n-butyl-methyl-amide 3-O-benzoate (98008-28-7) → N-n-butyl-N-methyl-11-(3'-(benzoyloxy)-17'-oxoestra-1',3',5'(10')-trien-7'α-yl)undecanamide (131811-95-5)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 0 - 20 ℃; for 3h;

Reference yield:

11-<3'-(benzoyloxy)-17'-oxoestra-1',3',5'(10')-trien-7'α-yl>undecanoic acid (55592-11-5) → N-n-butyl-N-methyl-11-(3'-(benzoyloxy)-17'-oxoestra-1',3',5'(10')-trien-7'α-yl)undecanamide (131811-95-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Bu₃N / CH₂Cl₂ / 1.33 h / -10 °C

2: 8.83 g / CH₂Cl₂ / 2.5 h / -10 - 20 °C

With tributyl-amine; In dichloromethane; 1: Condensation / 2: Substitution;

DOI:10.1016/S0223-5234(00)00124-0

Reference yield:

N-n-butyl-N-methylamine (110-68-9) + Benzoic acid (7R,8R,9S,13S,14S)-7-(11-isobutoxycarbonyloxy-11-oxo-undecyl)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl ester → N-n-butyl-N-methyl-11-(3'-(benzoyloxy)-17'-oxoestra-1',3',5'(10')-trien-7'α-yl)undecanamide (131811-95-5)

Guidance literature:

In dichloromethane; for 1h; Yield given; Ambient temperature;

DOI:10.1021/jm00109a014

upstream raw materials:

N-n-butyl-N-methylamine

11-<3'-(benzoyloxy)-17'-oxoestra-1',3',5'(10')-trien-7'α-yl>undecanoic acid

3-benzoyloxy 7α-(11'-hydroxy undecyl) estra-1,3,5(10)-trien-17β-ol

11-(3,17β-dihydroxy-estra-1,3,5(10)-triene-7a-yl)-undecanoic acid n-butyl-methyl-amide 3-O-benzoate

Downstream raw materials:

EM-139