4-Nitro-benzoic acid (3S,3aS,6aS,10S,10aR)-4-formyl-3-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxy)-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydro-2-oxa-cyclopenta[d]naphthalen-10-yl ester

Base Information

• Chemical Name: 4-Nitro-benzoic acid (3S,3aS,6aS,10S,10aR)-4-formyl-3-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxy)-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydro-2-oxa-cyclopenta[d]naphthalen-10-yl ester
• CAS No.: 330998-94-2
• Molecular Formula: C₃₂H₄₁NO₈
• Molecular Weight: 567.679

Synonyms:4-Nitro-benzoic acid (3S,3aS,6aS,10S,10aR)-4-formyl-3-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxy)-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydro-2-oxa-cyclopenta[d]naphthalen-10-yl ester

Chemical Property of 4-Nitro-benzoic acid (3S,3aS,6aS,10S,10aR)-4-formyl-3-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxy)-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydro-2-oxa-cyclopenta[d]naphthalen-10-yl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-Nitro-benzoic acid (3S,3aS,6aS,10S,10aR)-4-formyl-3-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxy)-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydro-2-oxa-cyclopenta[d]naphthalen-10-yl ester

There total 12 articles about 4-Nitro-benzoic acid (3S,3aS,6aS,10S,10aR)-4-formyl-3-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxy)-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydro-2-oxa-cyclopenta[d]naphthalen-10-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: 62.0%

4-Nitro-benzoic acid (3S,3aS,4S,6aS,10S,10aR)-4-hydroxymethyl-3-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxy)-7,7-dimethyl-1-oxo-3,3a,4,6a,7,8,9,10-octahydro-2-oxa-cyclopenta[d]naphthalen-10-yl ester (330998-93-1) → 4-Nitro-benzoic acid (3S,3aS,6aS,10S,10aR)-4-formyl-3-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxy)-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydro-2-oxa-cyclopenta[d]naphthalen-10-yl ester (330998-94-2)

Guidance literature:

With pyridine-SO₃ complex; triethylamine; In dimethyl sulfoxide; at 20 ℃; for 18h;

DOI:10.1002/1099-0690(200102)2001:3<473::AID-EJOC473>3.0.CO;2-J

Reference yield:

2,2-dimethyl-4-pentenal (5497-67-6) → 4-Nitro-benzoic acid (3S,3aS,6aS,10S,10aR)-4-formyl-3-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxy)-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydro-2-oxa-cyclopenta[d]naphthalen-10-yl ester (330998-94-2)

Guidance literature:

Multi-step reaction with 12 steps

1.1: 85 percent / LiHMDS / tetrahydrofuran / -40 °C

2.1: 98 percent / DIBALH / diethyl ether / 0.5 h / 0 °C

3.1: 100 percent / imidazole / dimethylformamide / 2 h / 20 °C

4.1: 9-BBN / tetrahydrofuran / 4 h / 20 °C

4.2: 91 percent / H₂O₂; NaOH / ethanol / 4 h / 0 °C

5.1: 98 percent / TEMPO; PhI(OAc)2 / 2 h / 20 °C

6.1: 88 percent / Li(SePh) / tetrahydrofuran / 6 h / -60 °C

7.1: 68 percent / xylene / 60 h / 140 °C

8.1: 95 percent / DMAP / 4 h / 20 °C

9.1: 49.8 percent / KNO₂; 18-crown-6 / dimethylformamide / 12 h / 40 - 50 °C

10.1: 98 percent / DCC; DMAP / 3 h / 20 °C

11.1: 83 percent / TBAF / tetrahydrofuran / 2 h / 20 °C

12.1: 62 percent / SO₃*py; Et₃N / dimethylsulfoxide / 18 h / 20 °C

With 1H-imidazole; dmap; 2,2,6,6-tetramethyl-piperidine-N-oxyl; 9-borabicyclo[3.3.1]nonane dimer; potassium nitrite; 18-crown-6 ether; pyridine-SO₃ complex; [bis(acetoxy)iodo]benzene; lithium phenylselenide; tetrabutyl ammonium fluoride; diisobutylaluminium hydride; triethylamine; dicyclohexyl-carbodiimide; lithium hexamethyldisilazane; In tetrahydrofuran; diethyl ether; dimethyl sulfoxide; N,N-dimethyl-formamide; xylene; 1.1: Horner-Emmons reaction / 7.1: intramolecular Diels-Alder reaction / 12.1: Parikh-Doering oxidation;

DOI:10.1002/1099-0690(200102)2001:3<473::AID-EJOC473>3.0.CO;2-J

Reference yield:

(2E,4E)-6,6-Dimethyl-nona-2,4,8-trienoic acid methyl ester (248250-07-9) → 4-Nitro-benzoic acid (3S,3aS,6aS,10S,10aR)-4-formyl-3-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxy)-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydro-2-oxa-cyclopenta[d]naphthalen-10-yl ester (330998-94-2)

Guidance literature:

Multi-step reaction with 11 steps

1.1: 98 percent / DIBALH / diethyl ether / 0.5 h / 0 °C

2.1: 100 percent / imidazole / dimethylformamide / 2 h / 20 °C

3.1: 9-BBN / tetrahydrofuran / 4 h / 20 °C

3.2: 91 percent / H₂O₂; NaOH / ethanol / 4 h / 0 °C

4.1: 98 percent / TEMPO; PhI(OAc)2 / 2 h / 20 °C

5.1: 88 percent / Li(SePh) / tetrahydrofuran / 6 h / -60 °C

6.1: 68 percent / xylene / 60 h / 140 °C

7.1: 95 percent / DMAP / 4 h / 20 °C

8.1: 49.8 percent / KNO₂; 18-crown-6 / dimethylformamide / 12 h / 40 - 50 °C

9.1: 98 percent / DCC; DMAP / 3 h / 20 °C

10.1: 83 percent / TBAF / tetrahydrofuran / 2 h / 20 °C

11.1: 62 percent / SO₃*py; Et₃N / dimethylsulfoxide / 18 h / 20 °C

With 1H-imidazole; dmap; 2,2,6,6-tetramethyl-piperidine-N-oxyl; 9-borabicyclo[3.3.1]nonane dimer; potassium nitrite; 18-crown-6 ether; pyridine-SO₃ complex; [bis(acetoxy)iodo]benzene; lithium phenylselenide; tetrabutyl ammonium fluoride; diisobutylaluminium hydride; triethylamine; dicyclohexyl-carbodiimide; In tetrahydrofuran; diethyl ether; dimethyl sulfoxide; N,N-dimethyl-formamide; xylene; 6.1: intramolecular Diels-Alder reaction / 11.1: Parikh-Doering oxidation;

DOI:10.1002/1099-0690(200102)2001:3<473::AID-EJOC473>3.0.CO;2-J

upstream raw materials:

4-Nitro-benzoic acid (3S,3aS,4S,6aS,10S,10aR)-4-hydroxymethyl-3-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxy)-7,7-dimethyl-1-oxo-3,3a,4,6a,7,8,9,10-octahydro-2-oxa-cyclopenta[d]naphthalen-10-yl ester

2,2-dimethyl-4-pentenal

(2E,4E)-6,6-dimethyl-2,4,8-nonatrien-1-ol

(2E,4E)-6,6-Dimethyl-nona-2,4,8-trienoic acid methyl ester

Downstream raw materials:

(3S,3aS,6aS,10S,10aR)-10-Hydroxy-3-((1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyloxy)-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydro-2-oxa-cyclopenta[d]naphthalene-4-carbaldehyde

mniopetal F

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