Benzoic acid 7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-yl ester

Base Information

• Chemical Name: Benzoic acid 7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-yl ester
• CAS No.: 68702-86-3
• Molecular Formula: C26H38O2
• Molecular Weight: 0
• Mol file: 68702-86-3.mol

Synonyms:Benzoic acid 7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-yl ester

Chemical Property of Benzoic acid 7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-yl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 457.649°C at 760 mmHg
• Flash Point: 208.023°C
• PSA: 26.30000
• Density: 1.008g/cm³
• LogP: 6.91280

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid 7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-yl ester

There total 16 articles about Benzoic acid 7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-yl ester 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: 95.0%

(1R,3aR,4S,7aR)-7a-methyl-1-<(2E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl>-octahydro-1H-inden-4-ol (55812-82-3,63730-57-4,63730-58-5,102281-42-5) + benzoyl chloride (98-88-4) → (24R,22E)-des-A,B-8β-(benzoyloxy)ergost-22-ene (68702-86-3)

Guidance literature:

With pyridine; dmap; for 14h; refrigerator;

DOI:10.1021/jo00053a024

Reference yield:

Benzoic acid (1R,3aR,4S,7aR)-1-((1S,4R)-2-acetoxy-3-benzenesulfonyl-1,4,5-trimethyl-hexyl)-7a-methyl-octahydro-inden-4-yl ester (68702-85-2) → (24R,22E)-des-A,B-8β-(benzoyloxy)ergost-22-ene (68702-86-3)

Guidance literature:

With sodium amalgam; In methanol; ethyl acetate; at -20 ℃;

Reference yield:

(S)-5-Benzyloxy-2,3-dimethyl-pentanoic acid ethyl ester (68702-77-2) → (24R,22E)-des-A,B-8β-(benzoyloxy)ergost-22-ene (68702-86-3)

Guidance literature:

Multi-step reaction with 9 steps

1: LiAlH₄

2: Py

3: LiAlH₄

4: H₂ / Pd-C / ethanol

5: CrO₃, H₂SO₄ / acetone

6: (i) Pb(OAc)4, I₂, (irradiation), (ii) /BRN= 3597302/

7: MCPBA / CH₂Cl₂

8: (i) nBuLi, (ii) /BRN= 2141122/, (iii) /BRN= 385737/

9: Na-Hg / methanol; ethyl acetate / -20 °C

With pyridine; chromium(VI) oxide; lithium aluminium tetrahydride; sodium amalgam; sulfuric acid; hydrogen; 3-chloro-benzenecarboperoxoic acid; palladium on activated charcoal; In methanol; ethanol; dichloromethane; ethyl acetate; acetone;

upstream raw materials:

Benzoic acid (1R,3aR,4S,7aR)-1-((1S,4R)-2-acetoxy-3-benzenesulfonyl-1,4,5-trimethyl-hexyl)-7a-methyl-octahydro-inden-4-yl ester

(1R,3aR,4S,7aR)-7a-methyl-1-<(2E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl>-octahydro-1H-inden-4-ol

benzoyl chloride

(S)-3,4-Dimethylpentanol-1

Downstream raw materials:

(8S,20S)-des-A,B-8-benzoyloxy-20-(hydroxymethyl)-pregnane

(22E,24S)-de-A,B-25-<(methoxymethyl)oxy>ergost-22-en-8-one

ercalcitriol

(22R)-des-A,B-8β-(benzoyloxy)-25-<(methoxymethyl)oxy>cholest-23-yn-22-ol