N-[20S-(dimethylamino)-3β-(isobutanamido)-4α-(hydroxymethyl)-4β,14α-dimethyl-11-oxo-9,19-cyclo-5α,9β-pregnan-16α-yl] benzoate

Base Information

• Chemical Name: N-[20S-(dimethylamino)-3β-(isobutanamido)-4α-(hydroxymethyl)-4β,14α-dimethyl-11-oxo-9,19-cyclo-5α,9β-pregnan-16α-yl] benzoate
• CAS No.: 1310344-14-9
• Molecular Formula: C₃₇H₅₄N₂O₅
• Molecular Weight: 606.846
• Mol file: 1310344-14-9.mol

Synonyms:N-[20S-(dimethylamino)-3β-(isobutanamido)-4α-(hydroxymethyl)-4β,14α-dimethyl-11-oxo-9,19-cyclo-5α,9β-pregnan-16α-yl] benzoate

Chemical Property of N-[20S-(dimethylamino)-3β-(isobutanamido)-4α-(hydroxymethyl)-4β,14α-dimethyl-11-oxo-9,19-cyclo-5α,9β-pregnan-16α-yl] benzoate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-[20S-(dimethylamino)-3β-(isobutanamido)-4α-(hydroxymethyl)-4β,14α-dimethyl-11-oxo-9,19-cyclo-5α,9β-pregnan-16α-yl] benzoate

There total 1 articles about N-[20S-(dimethylamino)-3β-(isobutanamido)-4α-(hydroxymethyl)-4β,14α-dimethyl-11-oxo-9,19-cyclo-5α,9β-pregnan-16α-yl] benzoate 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: 100.0%

N-[(3β,4α,9β,16α,20S)-20-(dimethylamino)-16-hydroxy-4-(hydroxymethyl)-4,14-dimethyl-11-oxo-9,19-cyclopregnan-3-yl]-2-methylpropanamide + benzoic acid anhydride (93-97-0) → N-[20S-(dimethylamino)-3β-(isobutanamido)-4α-(hydroxymethyl)-4β,14α-dimethyl-11-oxo-9,19-cyclo-5α,9β-pregnan-16α-yl] benzoate (1310344-14-9)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 13h; Inert atmosphere;

DOI:10.1016/j.ejmech.2011.02.073

Reference yield: 86.0%

N-[20S-(dimethylamino)-3β-(isobutanamido)-4α-(hydroxymethyl)-4β,14α-dimethyl-11-oxo-9,19-cyclo-5α,9β-pregnan-16α-yl] benzoate (1310344-14-9) + p-toluenesulfonyl chloride (98-59-9) → 20S-(dimethylamino)-3β-isobutyrylamino-4β,14α-dimethyl-4α-{[(p-methylbenzenesulfonyl)oxy]methyl}-11-oxo-9,19-cyclo-5α,9β-pregnan-16α-yl benzoate (1310344-29-6)

Guidance literature:

With pyridine; toluene-4-sulfonic acid; at 20 - 90 ℃; for 3.5h; Inert atmosphere;

DOI:10.1016/j.ejmech.2011.02.073

Reference yield: 73.0%

N-[20S-(dimethylamino)-3β-(isobutanamido)-4α-(hydroxymethyl)-4β,14α-dimethyl-11-oxo-9,19-cyclo-5α,9β-pregnan-16α-yl] benzoate (1310344-14-9) → 16α-(benzoyloxy)-20S-(dimethylamino)-3β-(isobutanamido)-4β,14α-dimethyl-11-oxo-9,19-cyclo-5α,9β-pregnan-4α-carboxylic acid (1310344-15-0)

Guidance literature:

With Jones reagent; In acetone; at 0 - 20 ℃; for 1h;

DOI:10.1016/j.ejmech.2011.02.073

upstream raw materials:

benzoic acid anhydride

Downstream raw materials:

20S-[(3-methoxybenzyl)(methyl)amino]-16α-hydroxy-4β,14α-dimethyl-9,19-cyclo-{2'-isopropyl-5',6'-dihydro-4'αH-[1',3']thiazino[4',5':3,4]}-5α,9β-pregnan-11-one

16α-(benzoyloxy)-20S-(dimethylamino)-3β-(isobutanamido)-4β,14α-dimethyl-11-oxo-9,19-cyclo-5α,9β-pregnan-4α-carboxylic acid

4α-(azidocarbonyl)-20S-(dimethylamino)-3β-(isobutanamido)-4β,14α-dimethyl-11-oxo-9,19-cyclo-5α,9β-pregnan-16α-yl benzoate

N-{16α-hydroxy-4β,14α-dimethyl-11-oxo-9,19-cyclo-{2'-isopropyl-5',6'-dihydro-4'αH-[1',3']thiazino[4',5':3,4]}-5α,9β-pregnan-20S-yl}-N-methylbenzamide