C₃₆H₄₅N₃O₆

Base Information

• Chemical Name: C₃₆H₄₅N₃O₆
• CAS No.: 220134-48-5
• Molecular Formula: C₃₆H₄₅N₃O₆
• Molecular Weight: 615.77
• Mol file: 220134-48-5.mol

Synonyms:C₃₆H₄₅N₃O₆

Chemical Property of C₃₆H₄₅N₃O₆

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₃₆H₄₅N₃O₆

There total 14 articles about C₃₆H₄₅N₃O₆ 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:

Lithocholic acid (434-13-9) → C36H45N3O6 (220134-48-5)

Guidance literature:

Multi-step reaction with 14 steps

1.1: 100 percent / acetyl chloride / 3.3 h / 20 °C

2.1: 83 percent / imidazole / dimethylformamide / 0.5 h / 20 °C

3.1: 83 percent / NaBH₄ / tetrahydrofuran; methanol / Heating

4.1: 96 percent / iodine; imidazole; triphenylphosphine / CH₂Cl₂ / 20 °C

5.1: 95 percent / dimethylsulfoxide; tetrahydrofuran / 2 h / 60 °C

6.1: 1.52 kg / HCl / 1 h / Heating

7.1: N-bromosuccinimide; HBr / 2-methyl-propan-2-ol; H₂O / 0.5 h / 20 °C

7.2: 46 percent / DDQ / ethyl acetate / 3.5 h / Heating

8.1: tert-BuOK / various solvent(s); tetrahydrofuran / 2 h / 0 °C

9.1: 240 mg / methanol; tetrahydrofuran; hexane / 4.5 h / 20 °C

10.1: 90 percent / NaBH₄ / methanol; tetrahydrofuran / 1.5 h / 0 °C

11.1: 96 percent / N,N-dimethylaminopyridine; pyridine / 3 h / 20 °C

12.1: N-bromosuccinimide; 2,2'-azobisisobutyronitrile / hexane / 0.5 h / Heating

13.1: γ-collidine / toluene / 1 h / Heating

14.1: 9.06 g / CH₂Cl₂ / 15 h / 20 °C

With pyridine; 1H-imidazole; 2,4,6-trimethyl-pyridine; hydrogenchloride; dmap; sodium tetrahydroborate; N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); potassium tert-butylate; hydrogen bromide; iodine; acetyl chloride; triphenylphosphine; In tetrahydrofuran; methanol; hexane; dichloromethane; water; dimethyl sulfoxide; N,N-dimethyl-formamide; toluene; tert-butyl alcohol; 1.1: Methylation / 2.1: silylation / 3.1: Reduction / 4.1: Iodination / 5.1: Substitution / 6.1: Addition / 7.1: Bromination / 7.2: Oxidation / 8.1: Isomerization / 9.1: Methylation / 10.1: Reduction / 11.1: Acetylation / 12.1: Bromination / 13.1: Dehydrobromination / 14.1: Cycloaddition;

DOI:10.1016/S0968-0896(98)80025-4

Reference yield:

methyl lithocholate (1249-75-8,5405-42-5,15074-01-8,15074-02-9,20231-51-0,63814-53-9,106757-10-2,125412-30-8) → C36H45N3O6 (220134-48-5)

Guidance literature:

Multi-step reaction with 13 steps

1.1: 83 percent / imidazole / dimethylformamide / 0.5 h / 20 °C

2.1: 83 percent / NaBH₄ / tetrahydrofuran; methanol / Heating

3.1: 96 percent / iodine; imidazole; triphenylphosphine / CH₂Cl₂ / 20 °C

4.1: 95 percent / dimethylsulfoxide; tetrahydrofuran / 2 h / 60 °C

5.1: 1.52 kg / HCl / 1 h / Heating

6.1: N-bromosuccinimide; HBr / 2-methyl-propan-2-ol; H₂O / 0.5 h / 20 °C

6.2: 46 percent / DDQ / ethyl acetate / 3.5 h / Heating

7.1: tert-BuOK / various solvent(s); tetrahydrofuran / 2 h / 0 °C

8.1: 240 mg / methanol; tetrahydrofuran; hexane / 4.5 h / 20 °C

9.1: 90 percent / NaBH₄ / methanol; tetrahydrofuran / 1.5 h / 0 °C

10.1: 96 percent / N,N-dimethylaminopyridine; pyridine / 3 h / 20 °C

11.1: N-bromosuccinimide; 2,2'-azobisisobutyronitrile / hexane / 0.5 h / Heating

12.1: γ-collidine / toluene / 1 h / Heating

13.1: 9.06 g / CH₂Cl₂ / 15 h / 20 °C

With pyridine; 1H-imidazole; 2,4,6-trimethyl-pyridine; hydrogenchloride; dmap; sodium tetrahydroborate; N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); potassium tert-butylate; hydrogen bromide; iodine; triphenylphosphine; In tetrahydrofuran; methanol; hexane; dichloromethane; water; dimethyl sulfoxide; N,N-dimethyl-formamide; toluene; tert-butyl alcohol; 1.1: silylation / 2.1: Reduction / 3.1: Iodination / 4.1: Substitution / 5.1: Addition / 6.1: Bromination / 6.2: Oxidation / 7.1: Isomerization / 8.1: Methylation / 9.1: Reduction / 10.1: Acetylation / 11.1: Bromination / 12.1: Dehydrobromination / 13.1: Cycloaddition;

DOI:10.1016/S0968-0896(98)80025-4

Reference yield:

methyl (3α,5β)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cholan-24-oate (91788-51-1) → C36H45N3O6 (220134-48-5)

Guidance literature:

Multi-step reaction with 12 steps

1.1: 83 percent / NaBH₄ / tetrahydrofuran; methanol / Heating

2.1: 96 percent / iodine; imidazole; triphenylphosphine / CH₂Cl₂ / 20 °C

3.1: 95 percent / dimethylsulfoxide; tetrahydrofuran / 2 h / 60 °C

4.1: 1.52 kg / HCl / 1 h / Heating

5.1: N-bromosuccinimide; HBr / 2-methyl-propan-2-ol; H₂O / 0.5 h / 20 °C

5.2: 46 percent / DDQ / ethyl acetate / 3.5 h / Heating

6.1: tert-BuOK / various solvent(s); tetrahydrofuran / 2 h / 0 °C

7.1: 240 mg / methanol; tetrahydrofuran; hexane / 4.5 h / 20 °C

8.1: 90 percent / NaBH₄ / methanol; tetrahydrofuran / 1.5 h / 0 °C

9.1: 96 percent / N,N-dimethylaminopyridine; pyridine / 3 h / 20 °C

10.1: N-bromosuccinimide; 2,2'-azobisisobutyronitrile / hexane / 0.5 h / Heating

11.1: γ-collidine / toluene / 1 h / Heating

12.1: 9.06 g / CH₂Cl₂ / 15 h / 20 °C

With pyridine; 1H-imidazole; 2,4,6-trimethyl-pyridine; hydrogenchloride; dmap; sodium tetrahydroborate; N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); potassium tert-butylate; hydrogen bromide; iodine; triphenylphosphine; In tetrahydrofuran; methanol; hexane; dichloromethane; water; dimethyl sulfoxide; toluene; tert-butyl alcohol; 1.1: Reduction / 2.1: Iodination / 3.1: Substitution / 4.1: Addition / 5.1: Bromination / 5.2: Oxidation / 6.1: Isomerization / 7.1: Methylation / 8.1: Reduction / 9.1: Acetylation / 10.1: Bromination / 11.1: Dehydrobromination / 12.1: Cycloaddition;

DOI:10.1016/S0968-0896(98)80025-4

upstream raw materials:

4-Phenyl-1,2,4-triazolidine-3,5-dione

(R)-5-((3R,9S,10R,13R,14R,17R)-3-Acetoxy-10,13-dimethyl-4,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-hexanoic acid methyl ester

Lithocholic acid

methyl lithocholate

Downstream raw materials:

C₃₄H₄₃N₃O₅

C₄₀H₅₇N₃O₅Si

C₄₀H₅₇N₃O₆Si

Refernces