3aH-Indene-3a-carbonitrile,octahydro-7-hydroxy-7-methyl-1-methylene-,(3aR,7S,7aR)-rel-(9CI)

Base Information

Chemical Name:3aH-Indene-3a-carbonitrile,octahydro-7-hydroxy-7-methyl-1-methylene-,(3aR,7S,7aR)-rel-(9CI)
CAS No.:450406-25-4
Molecular Formula:C₁₂H₁₇NO
Molecular Weight:191.273
Hs Code.:
Mol file:450406-25-4.mol

Synonyms:3aH-Indene-3a-carbonitrile,octahydro-7-hydroxy-7-methyl-1-methylene-,(3aR,7S,7aR)-rel-(9CI)

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Chemical Property of 3aH-Indene-3a-carbonitrile,octahydro-7-hydroxy-7-methyl-1-methylene-,(3aR,7S,7aR)-rel-(9CI)

Chemical Property:

PSA：0.00000
LogP:0.00000

Purity/Quality:

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Technology Process of 3aH-Indene-3a-carbonitrile,octahydro-7-hydroxy-7-methyl-1-methylene-,(3aR,7S,7aR)-rel-(9CI)

There total 5 articles about 3aH-Indene-3a-carbonitrile,octahydro-7-hydroxy-7-methyl-1-methylene-,(3aR,7S,7aR)-rel-(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: 65.0%

: C₄H₆Cl₂Mg

: 450406-20-9
3-hydroxy-3-methylcyclohex-1-ene-1-carbonitrile

: 450406-25-4
(1SR,5RS,6SR)-5-hydroxy-5-methyl-7-methylidenebicyclo[4.3.0]nonane-1-carbonitrile

Guidance literature:: With tert-butylmagnesium chloride; In tetrahydrofuran; at -78 - 20 ℃;
DOI:10.1021/ol0261175

Reference yield: 65.0%

: 335428-13-2
4-chloro-2-iodo-but-1-ene

: 450406-20-9
3-hydroxy-3-methylcyclohex-1-ene-1-carbonitrile

: 450406-25-4
(1SR,5RS,6SR)-5-hydroxy-5-methyl-7-methylidenebicyclo[4.3.0]nonane-1-carbonitrile

Guidance literature:: 4-chloro-2-iodo-but-1-ene; With n-butyllithium; isopropylmagnesium chloride; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

3-hydroxy-3-methylcyclohex-1-ene-1-carbonitrile; With tert-butylmagnesium chloride; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2.5h;
DOI:10.1021/jo0345291

Reference yield:

: 1193-18-6
3-methylcyclohexen-2-one

: 450406-25-4
(1SR,5RS,6SR)-5-hydroxy-5-methyl-7-methylidenebicyclo[4.3.0]nonane-1-carbonitrile

Guidance literature:: Multi-step reaction with 4 steps

1.1: 95 percent / ZnI₂ / CH₂Cl₂ / 0.67 h / 0 °C

2.1: acetic anhydride

2.2: 55 percent / 40 h / 20 °C

3.1: 92 percent / mercuric chloride / acetonitrile; H₂O / 8 h

4.1: iPrMgCl; n-BuLi / tetrahydrofuran; hexane / 1 h / -78 °C

4.2: t-BuMgCl / tetrahydrofuran; hexane / 0.5 h / -78 °C

4.3: 65 percent / n-BuLi / tetrahydrofuran; hexane / 2.5 h / -78 - 20 °C

With n-butyllithium; isopropylmagnesium chloride; acetic anhydride; mercury dichloride; zinc(II) iodide; In tetrahydrofuran; hexane; dichloromethane; water; acetonitrile;
DOI:10.1021/jo0345291