9β-13-O-[(2R,3S)-3-(tert-butyloxycarbonylamino)-2-hydroxyl-3-phenylpropionyl]-10-deacetyl-9-dihydro-9,10-O-[2-N-(2S,4S)-2-oxa-5-aza-bicyclo[2.2.1]hept-5-ylmethyl]baccatin III

Base Information

Chemical Name:9β-13-O-[(2R,3S)-3-(tert-butyloxycarbonylamino)-2-hydroxyl-3-phenylpropionyl]-10-deacetyl-9-dihydro-9,10-O-[2-N-(2S,4S)-2-oxa-5-aza-bicyclo[2.2.1]hept-5-ylmethyl]baccatin III
CAS No.:944154-60-3
Molecular Formula:C₅₀H₆₄N₂O₁₅
Molecular Weight:933.063
Hs Code.:

9β-13-O-[(2R,3S)-3-(tert-butyloxycarbonylamino)-2-hydroxyl-3-phenylpropionyl]-10-deacetyl-9-dihydro-9,10-O-[2-N-(2S,4S)-2-oxa-5-aza-bicyclo[2.2.1]hept-5-ylmethyl]baccatin III

Synonyms:9β-13-O-[(2R,3S)-3-(tert-butyloxycarbonylamino)-2-hydroxyl-3-phenylpropionyl]-10-deacetyl-9-dihydro-9,10-O-[2-N-(2S,4S)-2-oxa-5-aza-bicyclo[2.2.1]hept-5-ylmethyl]baccatin III

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Chemical Property of 9β-13-O-[(2R,3S)-3-(tert-butyloxycarbonylamino)-2-hydroxyl-3-phenylpropionyl]-10-deacetyl-9-dihydro-9,10-O-[2-N-(2S,4S)-2-oxa-5-aza-bicyclo[2.2.1]hept-5-ylmethyl]baccatin III

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Technology Process of 9β-13-O-[(2R,3S)-3-(tert-butyloxycarbonylamino)-2-hydroxyl-3-phenylpropionyl]-10-deacetyl-9-dihydro-9,10-O-[2-N-(2S,4S)-2-oxa-5-aza-bicyclo[2.2.1]hept-5-ylmethyl]baccatin III

There total 8 articles about 9β-13-O-[(2R,3S)-3-(tert-butyloxycarbonylamino)-2-hydroxyl-3-phenylpropionyl]-10-deacetyl-9-dihydro-9,10-O-[2-N-(2S,4S)-2-oxa-5-aza-bicyclo[2.2.1]hept-5-ylmethyl]baccatin III 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: 70.0%

: 944154-58-9
9β-13-O-[(2R,3S)-3-(tert-butyloxycarbonylamino)-2-hydroxyl-3-phenylpropionyl]-10-deacetyl-9-dihydro-9,10-O-acetaldehydebaccatin III

: 31560-06-2
(1S,4S)-(+)-2-Aza-5-oxabicyclo[2.2.1]heptane hydrochloride

: 944154-60-3
9β-13-O-[(2R,3S)-3-(tert-butyloxycarbonylamino)-2-hydroxyl-3-phenylpropionyl]-10-deacetyl-9-dihydro-9,10-O-[2-N-(2S,4S)-2-oxa-5-aza-bicyclo[2.2.1]hept-5-ylmethyl]baccatin III

Guidance literature:: 9β-13-O-[(2R,3S)-3-(tert-butyloxycarbonylamino)-2-hydroxyl-3-phenylpropionyl]-10-deacetyl-9-dihydro-9,10-O-acetaldehydebaccatin III; (1S,4S)-(+)-2-Aza-5-oxabicyclo[2.2.1]heptane hydrochloride; In methanol; at 20 ℃; for 0.5h; Molecular sieve;

With sodium cyanoborohydride; In methanol; at 20 ℃; for 1.5h;

With water; sodium hydrogencarbonate; In methanol;

Reference yield:

: 32981-86-5,172018-16-5
10-deacetylbaccatin III

: 944154-60-3
9β-13-O-[(2R,3S)-3-(tert-butyloxycarbonylamino)-2-hydroxyl-3-phenylpropionyl]-10-deacetyl-9-dihydro-9,10-O-[2-N-(2S,4S)-2-oxa-5-aza-bicyclo[2.2.1]hept-5-ylmethyl]baccatin III

Guidance literature:: Multi-step reaction with 8 steps

1.1: tetrabutylammonium borohydride / 1,4-dioxane; dichloromethane / 19 h / 25 - 30 °C

1.2: 0.5 - 1 h / 0 °C / pH 6 / Cooling with ice-salt bath

2.1: bis(cyclopentadienyl)titanium dichloride / dichloromethane / 18 h / 24 - 28 °C

3.1: 2,6-di-tert-butyl-pyridine / dichloromethane / 0.67 h / -78 °C

4.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / -55 °C

4.2: 0.5 - 1 h / 0 °C / Cooling with acetone-dry ice

5.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.5 h / 0 °C / Cooling with ice/salt bath

6.1: osmium(VIII) oxide; water; 4-methylmorpholine N-oxide / tetrahydrofuran; acetone; tert-butyl alcohol / 28 °C

7.1: sodium periodate / tetrahydrofuran; methanol; water / 2 h / 20 °C

8.1: methanol / 0.5 h / 20 °C / Molecular sieve

8.2: 1.5 h / 20 °C

With sodium periodate; osmium(VIII) oxide; 2,6-di-tert-butyl-pyridine; tetrabutyl ammonium fluoride; water; tetrabutylammonium borohydride; 4-methylmorpholine N-oxide; lithium hexamethyldisilazane; bis(cyclopentadienyl)titanium dichloride; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; water; acetone; tert-butyl alcohol;

Reference yield:

: 162475-68-5
10-deacetyl-9β-dihydrobaccatin III

: 944154-60-3
9β-13-O-[(2R,3S)-3-(tert-butyloxycarbonylamino)-2-hydroxyl-3-phenylpropionyl]-10-deacetyl-9-dihydro-9,10-O-[2-N-(2S,4S)-2-oxa-5-aza-bicyclo[2.2.1]hept-5-ylmethyl]baccatin III

Guidance literature:: Multi-step reaction with 7 steps

1.1: bis(cyclopentadienyl)titanium dichloride / dichloromethane / 18 h / 24 - 28 °C

2.1: 2,6-di-tert-butyl-pyridine / dichloromethane / 0.67 h / -78 °C

3.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / -55 °C

3.2: 0.5 - 1 h / 0 °C / Cooling with acetone-dry ice

4.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.5 h / 0 °C / Cooling with ice/salt bath

5.1: osmium(VIII) oxide; water; 4-methylmorpholine N-oxide / tetrahydrofuran; acetone; tert-butyl alcohol / 28 °C

6.1: sodium periodate / tetrahydrofuran; methanol; water / 2 h / 20 °C

7.1: methanol / 0.5 h / 20 °C / Molecular sieve

7.2: 1.5 h / 20 °C

With sodium periodate; osmium(VIII) oxide; 2,6-di-tert-butyl-pyridine; tetrabutyl ammonium fluoride; water; 4-methylmorpholine N-oxide; lithium hexamethyldisilazane; bis(cyclopentadienyl)titanium dichloride; In tetrahydrofuran; methanol; dichloromethane; water; acetone; tert-butyl alcohol;