(4aS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione

Base Information

• Chemical Name: (4aS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione
• CAS No.: 852821-06-8
• Molecular Formula: C26 H34N2O5Si
• Molecular Weight: 482.652
• European Community (EC) Number: 811-499-7
• Nikkaji Number: J2.169.614E
• Mol file: 852821-06-8.mol

Synonyms:852821-06-8;TP808;TP-808;(4aS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione;(4aS,8aS,9S)-3-(benzyloxy)-4a-[(tert-butyldimethylsilyl)oxy]-9-(dimethylamino)-8H,8aH,9H-naphtho[2,3-d][1,2]oxazole-4,5-dione;drsenone;(4aS,8aS,9S)-3-(benzyloxy)-4a-(tert-butyldimethylsilyloxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione;CID 11363682;SCHEMBL6125122;EX-A325;(4aS,8aS,9S)-4a-[tert-butyl(dimethyl)silyl]oxy-9-(dimethylamino)-3-phenylmethoxy-8a,9-dihydro-8H-benzo[f][1,2]benzoxazole-4,5-dione;AMY14168;BCP08232;MFCD28023585;TP 808;AKOS027338721;DS-12237;CS-0008722;A863623;(4aS,8aS,9S)-3-(Benzyloxy)-4a-(tert- butyldimethylsilyloxy)-9-(dimethylamino)-8a,9- dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione;(4aS,8aS,9S)-3-(benzyloxy)-4a-[(tert-butyldimethylsilyl)oxy]-9-(dimethylamino)-4H,4aH,5H,8H,8aH,9H-naphtho[2,3-d][1,2]oxazole-4,5-dione

Chemical Property of (4aS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione

Chemical Property:

• Melting Point: 150-151℃ (ethyl acetate hexane )
• Boiling Point: 573.8±50.0 °C(Predicted)
• PKA: 5.25±0.40(Predicted)
• PSA: 81.87000
• Density: 1.18±0.1 g/cm3(Predicted)
• LogP: 4.95840
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 482.22369872
• Heavy Atom Count: 34
• Complexity: 817

Purity/Quality:

98% ^*data from raw suppliers

(4aS,8aS,9S)-3-(Benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)[Si](C)(C)OC12C(CC=CC1=O)C(C3=C(C2=O)C(=NO3)OCC4=CC=CC=C4)N(C)C
• Isomeric SMILES: CC(C)(C)[Si](C)(C)O[C@@]12[C@@H](CC=CC1=O)[C@@H](C3=C(C2=O)C(=NO3)OCC4=CC=CC=C4)N(C)C
• Uses: (4aS,8aS,9S)-3-(Benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione serves as a highly versatile intermediate for the construction of diverse tetracycline antibiotics. (4aS,8aS,9S)-3-(Benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione serves as a highlyversatile intermediate for the construction of diverse tetracycline antibiotics.

Technology Process of (4aS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione

There total 22 articles about (4aS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione 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%

C20H20N2O5 (856906-36-0) + t-butyldimethylsiyl triflate (69739-34-0) → (4aS,8aS,9S)-3-(benzyloxy)-4a-(tert-butyldimethylsilyloxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione (852821-06-8)

Guidance literature:

With 2,6-dimethylpyridine; In dichloromethane; water; at 23 ℃; for 3h; pH=7.0; Aqueous potassium phosphate buffer solution;

Reference yield: 46.0%

C21H22N2O5 + t-butyldimethylsiyl triflate (69739-34-0) → (4aS,8aS,9S)-3-(benzyloxy)-4a-(tert-butyldimethylsilyloxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione (852821-06-8)

Guidance literature:

C₂₁H₂₂N₂O₅; With boron tribromide; In dichloromethane; at -78 ℃; for 0.2h;

With water; In dichloromethane; Aqueous phosphate buffer;

t-butyldimethylsiyl triflate; With 2,6-dimethylpyridine; In dichloromethane; at 0 - 23 ℃; for 1.16667h;

Reference yield:

C20H22N2O5 + t-butyldimethylsiyl triflate (69739-34-0) → (4aS,8aS,9S)-3-(benzyloxy)-4a-(tert-butyldimethylsilyloxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione (852821-06-8)

Guidance literature:

With 2,6-dimethylpyridine; In dichloromethane; at 0 - 23 ℃; for 0.583333h;

upstream raw materials:

t-butyldimethylsiyl triflate

C₂₀H₂₀N₂O₅

C₂₁H₂₄N₂O₅

C₂₀H₂₀N₂O₅

Downstream raw materials:

C₄₂H₄₉N₃O₉Si

C₄₂H₄₉N₃O₉Si

C₄₈H₅₃N₃O₉Si

C₄₈H₅₂FN₃O₉Si

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