benzoic acid (1R,3aR,4S,7aR)-1-[(S)-1'-cyano-ethyl]-7a-methyl-octahydro-inden-4-yl ester

Base Information

• Chemical Name: benzoic acid (1R,3aR,4S,7aR)-1-[(S)-1'-cyano-ethyl]-7a-methyl-octahydro-inden-4-yl ester
• CAS No.: 951777-91-6
• Molecular Formula: C₂₀H₂₅NO₂
• Molecular Weight: 311.424

Synonyms:benzoic acid (1R,3aR,4S,7aR)-1-[(S)-1'-cyano-ethyl]-7a-methyl-octahydro-inden-4-yl ester

Chemical Property of benzoic acid (1R,3aR,4S,7aR)-1-[(S)-1'-cyano-ethyl]-7a-methyl-octahydro-inden-4-yl ester

Chemical Property:

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Technology Process of benzoic acid (1R,3aR,4S,7aR)-1-[(S)-1'-cyano-ethyl]-7a-methyl-octahydro-inden-4-yl ester

There total 3 articles about benzoic acid (1R,3aR,4S,7aR)-1-[(S)-1'-cyano-ethyl]-7a-methyl-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: 91.0%

benzoic acid (1R,3aR,4S,7aR)-1-[(S)-(2'-hydroxyimino-1'-methyl)ethyl]-7a-methyl-octahydro-inden-4-yl ester (1006877-89-9) → benzoic acid (1R,3aR,4S,7aR)-1-[(S)-1'-cyano-ethyl]-7a-methyl-octahydro-inden-4-yl ester (951777-91-6)

Guidance literature:

With acetic anhydride; for 1.5h; Reflux;

DOI:10.1021/jm200743p

Reference yield: 91.0%

(Z)-benzoic acid (1R,3aR,4S,7aR)-1-[(S)-(2'-hydroxyimino-1'-methyl)ethyl]-7a-methyl-octahydro-inden-4-yl ester (951777-99-4) + (E)-benzoic acid (1R,3aR,4S,7aR)-1-[(S)-(2'-hydroxyimino-1'-methyl)ethyl]-7a-methyl-octahydro-inden-4-yl ester (951777-98-3) → benzoic acid (1R,3aR,4S,7aR)-1-[(S)-1'-cyano-ethyl]-7a-methyl-octahydro-inden-4-yl ester (951777-91-6)

Guidance literature:

With acetic anhydride; for 1.5h; Heating / reflux;

Reference yield: 91.0%

C20H29NO2 → benzoic acid (1R,3aR,4S,7aR)-1-[(S)-1'-cyano-ethyl]-7a-methyl-octahydro-inden-4-yl ester (951777-91-6)

Guidance literature:

With acetic anhydride; for 1.5h; Heating / reflux;

upstream raw materials:

(Z)-benzoic acid (1R,3aR,4S,7aR)-1-[(S)-(2'-hydroxyimino-1'-methyl)ethyl]-7a-methyl-octahydro-inden-4-yl ester

(E)-benzoic acid (1R,3aR,4S,7aR)-1-[(S)-(2'-hydroxyimino-1'-methyl)ethyl]-7a-methyl-octahydro-inden-4-yl ester

benzoic acid (1R,3aR,4S,7aR)-1-[(S)-(2'-hydroxyimino-1'-methyl)ethyl]-7a-methyl-octahydro-inden-4-yl ester

Downstream raw materials:

benzoic acid (1S,3aR,4S,7aR)-1-[(S)-1'-cyano-3'-hydroxy-1'-methylpropyl]-7a-methyl-octahydro-inden-4-yl ester

benzoic acid (1S,3aR,4S,7aR)-1-[(S)-1'-cyano-1'-methylallyl]-7a-methyl-octahydro-inden-4-yl ester

C₂₂H₃₄N₂O₃S

benzoic acid (1S,3aR,4S,7aR)-1-[(S)-1'-cyano-1',3'-dimethylbutyl]-7a-methyl-octahydro-inden-4-yl ester

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