methyl (2s,3aR,5r,6aS)-5-cyano-5-(3-isopropoxy-4-methoxyphenyl)octahydropentalene-2-carboxylate

Base Information

Chemical Name:methyl (2s,3aR,5r,6aS)-5-cyano-5-(3-isopropoxy-4-methoxyphenyl)octahydropentalene-2-carboxylate
CAS No.:439919-78-5
Molecular Formula:C₂₁H₂₇NO₄
Molecular Weight:357.45
Hs Code.:

Synonyms:methyl (2s,3aR,5r,6aS)-5-cyano-5-(3-isopropoxy-4-methoxyphenyl)octahydropentalene-2-carboxylate

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Chemical Property of methyl (2s,3aR,5r,6aS)-5-cyano-5-(3-isopropoxy-4-methoxyphenyl)octahydropentalene-2-carboxylate

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Technology Process of methyl (2s,3aR,5r,6aS)-5-cyano-5-(3-isopropoxy-4-methoxyphenyl)octahydropentalene-2-carboxylate

There total 8 articles about methyl (2s,3aR,5r,6aS)-5-cyano-5-(3-isopropoxy-4-methoxyphenyl)octahydropentalene-2-carboxylate 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: 98.0%

: 67-63-0,8013-70-5
isopropyl alcohol

: 752259-59-9
methyl (2s,3aR,5r,6aS)-5-cyano-5-(3-hydroxy-4-methoxyphenyl)octahydropentalene-2-carboxylate

: 439919-78-5
methyl (2s,3aR,5r,6aS)-5-cyano-5-(3-isopropoxy-4-methoxyphenyl)octahydropentalene-2-carboxylate

Guidance literature:: With triphenylphosphine; 1,1'-azodicarbonyl-dipiperidine; In dichloromethane; at 20 ℃;
DOI:10.1016/j.ejmech.2004.02.010

Reference yield:

: 752259-56-6
(3aR,7aS)-2-[3-(benzyloxy)-4-methoxyphenyl]-2,3,3a,4,7,7a-hexahydro-1H-indene-2-carbonitrile

: 439919-78-5
methyl (2s,3aR,5r,6aS)-5-cyano-5-(3-isopropoxy-4-methoxyphenyl)octahydropentalene-2-carboxylate

Guidance literature:: Multi-step reaction with 8 steps

1.1: ozone / CH₂Cl₂ / 1 h / -78 °C

1.2: Ph₃P / CH₂Cl₂ / 1.5 h / -78 - 20 °C

2.1: NaClO₂; NaH₂PO₄; 2-methyl-2-butene / 2-methyl-propan-2-ol; H₂O / 3 h / 20 °C

3.1: diethyl ether / 0 °C

4.1: NaH / 1,2-dimethoxy-ethane / 1.5 h / Heating

4.2: 48 percent / NaCl; H₂O / dimethylsulfoxide / 1 h / 165 °C

5.1: LiHMDS / tetrahydrofuran / 0.75 h / -78 °C

5.2: tetrahydrofuran / 1 h / 0 °C

6.1: 8.82 g / PPh₃; Et₃N / Pd(OAc)2 / dimethylformamide / 20 °C

7.1: 26 percent / H₂ / Pd/C / methanol / 72 h / atmospheric pressure

8.1: 98 percent / PPh₃; ADDP / CH₂Cl₂ / 20 °C

With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; hydrogen; sodium hydride; ozone; triethylamine; triphenylphosphine; lithium hexamethyldisilazane; 1,1'-azodicarbonyl-dipiperidine; palladium diacetate; palladium on activated charcoal; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; diethyl ether; dichloromethane; water; N,N-dimethyl-formamide; tert-butyl alcohol; 4.1: Dieckmann condensation;
DOI:10.1016/j.ejmech.2004.02.010

Reference yield:

: 752259-58-8
(2s,3aR,6aS)-2-[3-(benzyloxy)-4-methoxyphenyl]-5-oxooctahydropentalene-2-carbonitrile

: 439919-78-5
methyl (2s,3aR,5r,6aS)-5-cyano-5-(3-isopropoxy-4-methoxyphenyl)octahydropentalene-2-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1.1: LiHMDS / tetrahydrofuran / 0.75 h / -78 °C

1.2: tetrahydrofuran / 1 h / 0 °C

2.1: 8.82 g / PPh₃; Et₃N / Pd(OAc)2 / dimethylformamide / 20 °C

3.1: 26 percent / H₂ / Pd/C / methanol / 72 h / atmospheric pressure

4.1: 98 percent / PPh₃; ADDP / CH₂Cl₂ / 20 °C

With hydrogen; triethylamine; triphenylphosphine; lithium hexamethyldisilazane; 1,1'-azodicarbonyl-dipiperidine; palladium diacetate; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.ejmech.2004.02.010