Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI)

Base Information

• Chemical Name: Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI)
• CAS No.: 798554-33-3
• Molecular Formula: C₁₂H₁₅NO₂
• Molecular Weight: 205.257
• Mol file: 798554-33-3.mol

Synonyms:Acetonitrile,[(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI)

Chemical Property of Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI)

Chemical Property:

• PSA: 50.09000
• LogP: 2.18808

Purity/Quality:

Safty Information:

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Technology Process of Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI)

There total 1 articles about Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI) 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: 49.0%

potassium cyanide (151-50-8) + (1R,5R)-4-[(E)-(dimethylamino)-methylidene]-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one (769133-62-2) → (1R,5S)-4-[(E)-cyanomethylidene]-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one (798554-33-3)

Guidance literature:

In acetic acid; at 20 ℃; for 120h;

DOI:10.1055/s-2005-861862

Reference yield: 12.0%

(1R,5S)-4-[(E)-cyanomethylidene]-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one (798554-33-3) + 2,4,6-trimethoxybenzonitrile N-oxide (2904-59-8) → (1R,4R,4'S,5S)-3'-(2,4,6-trimethoxyphenyl)-1,8,8-trimethyl-3-oxo-4'H-2-oxaspiro[bicyclo[3.2.1]octane-4,5'-isoxazole]-4'-carbonitrile + (1R,4E,5S)-4-{[3-(2,4,6-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylidene}-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one

Guidance literature:

In toluene; for 4h; Heating;

DOI:10.1016/j.tetasy.2006.04.014

upstream raw materials:

potassium cyanide

(1R,5R)-4-[(E)-(dimethylamino)-methylidene]-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one

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