4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(aminomethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid

Base Information

• Chemical Name: 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(aminomethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid
• CAS No.: 1392112-99-0
• Molecular Formula: C₃₇H₅₃NO₂
• Molecular Weight: 543.833

Synonyms:4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(aminomethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid

Chemical Property of 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(aminomethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid

Chemical Property:

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Technology Process of 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(aminomethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid

There total 10 articles about 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(aminomethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid 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: 80.0%

tert-butyl 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(aminomethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoate (1392113-45-9) → 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(aminomethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid (1392112-99-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 6h; Inert atmosphere;

Reference yield:

betulin (473-98-3) → 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(aminomethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid (1392112-99-0)

Guidance literature:

Multi-step reaction with 9 steps

1.1: pyridine / dmap / 50 °C / Inert atmosphere

1.2: 5 h / 50 °C

2.1: pyridinium chlorochromate / dichloromethane / 7.25 h / 20 °C / Inert atmosphere

3.1: potassium hexamethylsilazane / tetrahydrofuran / 0.25 h / -78 °C / Inert atmosphere

3.2: 4.5 h / -78 °C

4.1: sodium carbonate monohydrate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / isopropyl alcohol; 1,4-dioxane; water / 3.5 h / Inert atmosphere

5.1: water; lithium hydroxide monohydrate / 1,4-dioxane / 25.5 h / 75 °C / Inert atmosphere

6.1: pyridinium chlorochromate / dichloromethane / 6.5 h / 20 °C / Inert atmosphere

7.1: potassium carbonate; hydroxylamine hydrochloride / ethanol / 2 h / 50 °C / Inert atmosphere

8.1: sodium cyanoborohydride; ammonium acetate / titanium(III) chloride / ethanol / 1 h / 20 °C / Cooling with ice; Inert atmosphere

9.1: trifluoroacetic acid / dichloromethane / 6 h / 20 °C / Inert atmosphere

With pyridine; sodium carbonate monohydrate; lithium hydroxide monohydrate; hydroxylamine hydrochloride; ammonium acetate; water; potassium hexamethylsilazane; sodium cyanoborohydride; potassium carbonate; pyridinium chlorochromate; trifluoroacetic acid; dmap; tetrakis(triphenylphosphine) palladium⁽⁰⁾; titanium(III) chloride; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; water; isopropyl alcohol; 4.1: Suzuki Coupling;

Reference yield:

((1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-Pentamethyl-9-oxo-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-3a-yl)methyl benzoate (1350915-25-1) → 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(aminomethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid (1392112-99-0)

Guidance literature:

Multi-step reaction with 7 steps

1.1: potassium hexamethylsilazane / tetrahydrofuran / 0.25 h / -78 °C / Inert atmosphere

1.2: 4.5 h / -78 °C

2.1: sodium carbonate monohydrate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / isopropyl alcohol; 1,4-dioxane; water / 3.5 h / Inert atmosphere

3.1: water; lithium hydroxide monohydrate / 1,4-dioxane / 25.5 h / 75 °C / Inert atmosphere

4.1: pyridinium chlorochromate / dichloromethane / 6.5 h / 20 °C / Inert atmosphere

5.1: potassium carbonate; hydroxylamine hydrochloride / ethanol / 2 h / 50 °C / Inert atmosphere

6.1: sodium cyanoborohydride; ammonium acetate / titanium(III) chloride / ethanol / 1 h / 20 °C / Cooling with ice; Inert atmosphere

7.1: trifluoroacetic acid / dichloromethane / 6 h / 20 °C / Inert atmosphere

With sodium carbonate monohydrate; lithium hydroxide monohydrate; hydroxylamine hydrochloride; ammonium acetate; water; potassium hexamethylsilazane; sodium cyanoborohydride; potassium carbonate; pyridinium chlorochromate; trifluoroacetic acid; tetrakis(triphenylphosphine) palladium⁽⁰⁾; titanium(III) chloride; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; water; isopropyl alcohol; 2.1: Suzuki Coupling;

upstream raw materials:

betulin

((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-3a-yl)methyl benzoate

((1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-Pentamethyl-9-oxo-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-3a-yl)methyl benzoate

((1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-9-(trifluoromethylsulfonyloxy)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-3a-yl)methyl benzoate

Downstream raw materials:

4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((3-carboxypropanamido)methyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid

4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((3-(carboxymethyl)ureido)methyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid

4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((3-(2-methoxy-2-oxoethyl)ureido)methyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid

4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((3-(2-ethoxy-2-oxoethyl)ureido)methyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid

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