Conditions | Yield |
---|---|
With sodium hydrogencarbonate In tetrahydrofuran | 96% |
taxol
10-deacetylpaclitaxel
Conditions | Yield |
---|---|
With dihydrogen peroxide; sodium hydrogencarbonate In tetrahydrofuran for 24h; Ambient temperature; | 95% |
C51H51Cl6NO17
10-deacetylpaclitaxel
Conditions | Yield |
---|---|
With acetic acid; zinc In methanol at 60℃; for 2h; | 90% |
With acetic acid; zinc In methanol |
Conditions | Yield |
---|---|
With zinc dibromide In methanol for 48h; Ambient temperature; | A 36% B 29% |
With water; scandium tris(trifluoromethanesulfonate) In methanol at 40℃; for 72h; Deacetylation; |
Conditions | Yield |
---|---|
With Enterobacter sp. CGMCC 2487 In N,N-dimethyl-formamide at 26℃; for 216h; pH=6; PBS buffer; Microbiological reaction; | A 29% B 6.9% |
7-α-glucosyloxyacetyl paclitaxel
A
10-deacetylbaccatin III
B
10-deacetylpaclitaxel
C
taxol
D
7-epipaclitaxel
Conditions | Yield |
---|---|
With Marchantia polymorpha; BG-11 medium at 25℃; Further byproducts.; | A 8% B 10% C 17% D 8% |
Conditions | Yield |
---|---|
With Glycine max; BG-11 medium at 25℃; | A 6% B 16% |
10-deacetylpaclitaxel
Conditions | Yield |
---|---|
With dihydrogen peroxide; sodium hydrogencarbonate In tetrahydrofuran Ambient temperature; |
10-deacetylpaclitaxel
Conditions | Yield |
---|---|
With sodium periodate; sulfuric acid; acetic acid; phenylhydrazine 1.) DMF, 3 h, 2.) 60 deg C, 3 h; Yield given. Multistep reaction; | |
Stage #1: 7-O-(β-xylosyl)-10-deacetyltaxol With sodium periodate; sulfuric acid In methanol; chloroform; water at 20℃; for 3h; Stage #2: With acetic acid; phenylhydrazine In methanol; water at 50℃; for 2h; | |
Stage #1: 7-O-(β-xylosyl)-10-deacetyltaxol With sodium periodate; sulfuric acid In methanol; chloroform at 20℃; for 3h; Stage #2: With acetic acid; phenylhydrazine In methanol at 50℃; for 2h; | |
With recombinant β-xylosidase Dt-xyl3 from Dictyoglomus turgidum In aq. phosphate buffer; dimethyl sulfoxide at 60℃; for 0.5h; pH=4.5; Kinetics; Catalytic behavior; Reagent/catalyst; Temperature; pH-value; Concentration; Enzymatic reaction; |
10-deacetylpaclitaxel
Conditions | Yield |
---|---|
With methanol at 20℃; Solvolysis; |
Conditions | Yield |
---|---|
With α-tocopherylpolyethyleneglycol-100 succinate; poloxamer 407; Tocopherol In water at 4℃; for 7305h; Product distribution; Further Variations:; Temperatures; time of storage; |
10-deacetyl-7,10-diTroc-baccatin III
10-deacetylpaclitaxel
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: pyridine / 3 h / Ambient temperature 2: 90 percent / Zn, AcOH / methanol / 2 h / 60 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: pyridine / 3 h / Ambient temperature 2: 90 percent / Zn, AcOH / methanol / 2 h / 60 °C View Scheme |
7,10-bis-O-(2,2,2-trichloroethoxycarbonyl)docetaxel
10-deacetylpaclitaxel
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 75 percent / ISi(CH3)3 / acetonitrile / 0.5 h / 0 °C 2: pyridine / 3 h / Ambient temperature 3: 90 percent / Zn, AcOH / methanol / 2 h / 60 °C View Scheme |
A
7-β-D-xylosylbaccatin III
B
10-deacetylpaclitaxel
Conditions | Yield |
---|---|
With Enterobacter sp. CGMCC 2487 pH=8; PBS buffer; Microbiological reaction; |
A
10-deacetylpaclitaxel
B
taxol
C
7-O-(triethylsilyl)paclitaxel
D
7-epipaclitaxel
Conditions | Yield |
---|---|
With trifluoroacetic acid In water; acetic acid at 20℃; for 6h; Solvent; Reagent/catalyst; Concentration; Time; |
10-deacetylpaclitaxel
Conditions | Yield |
---|---|
at 30 - 55℃; for 12h; |
10-deacetylpaclitaxel
Conditions | Yield |
---|---|
With samarium diiodide; 1,2-Diiodoethane; acetic acid In tetrahydrofuran at -5℃; for 1h; | 83% |
Conditions | Yield |
---|---|
Stage #1: 10-deacetylpaclitaxel With Chloroacetamide In tetrahydrofuran at 100℃; for 3h; Stage #2: acetic anhydride In tetrahydrofuran at 100℃; for 3h; Stage #3: With methanol; sodium hydrogencarbonate; thiourea at 20℃; for 1h; Product distribution / selectivity; | 78.8% |
Stage #1: 10-deacetylpaclitaxel With pyridine; Chloroacetamide at 20℃; for 1h; Stage #2: acetic anhydride With pyridine In tetrahydrofuran at 100℃; for 0.5h; Stage #3: With methanol; sodium hydrogencarbonate; thiourea at 20℃; for 1h; Product distribution / selectivity; | 60% |
Stage #1: 10-deacetylpaclitaxel With Chloroacetamide In tetrahydrofuran at 100℃; for 3h; Stage #2: acetic anhydride In tetrahydrofuran at 100℃; for 3h; Stage #3: With sodium hydrogencarbonate; thiourea In methanol at 20℃; for 1h; Product distribution / selectivity; |
Conditions | Yield |
---|---|
Multistep reaction.; | 71% |
Conditions | Yield |
---|---|
Stage #1: 10-deacetylpaclitaxel With 1H-imidazole; chlorinated PS-DES resin In dichloromethane at 20℃; for 24h; Stage #2: butanoic acid anhydride With cerium(III) chloride In tetrahydrofuran at 20℃; for 24h; Stage #3: With pyridine; hydrogen fluoride In tetrahydrofuran at 20℃; for 2h; Further stages.; | 69% |
Conditions | Yield |
---|---|
Multistep reaction.; | 69% |
Conditions | Yield |
---|---|
Multistep reaction.; | 66% |
Conditions | Yield |
---|---|
Multistep reaction.; | 66% |
Conditions | Yield |
---|---|
Multistep reaction.; | 64% |
Conditions | Yield |
---|---|
Multistep reaction.; | 62% |
Conditions | Yield |
---|---|
Multistep reaction.; | 62% |
Conditions | Yield |
---|---|
Multistep reaction.; | 61% |
Conditions | Yield |
---|---|
Stage #1: 10-deacetylpaclitaxel With 1H-imidazole; chlorinated PS-DES resin In dichloromethane at 20℃; for 24h; Stage #2: C17H14O5 With cerium(III) chloride In tetrahydrofuran at 20℃; for 24h; Stage #3: With pyridine; hydrogen fluoride In tetrahydrofuran at 20℃; for 2h; Further stages.; | 60% |
Conditions | Yield |
---|---|
Stage #1: 10-deacetylpaclitaxel With 1H-imidazole; chlorinated PS-DES resin In dichloromethane at 20℃; for 24h; Stage #2: benzoic acid anhydride With cerium(III) chloride In tetrahydrofuran at 20℃; for 24h; Stage #3: With pyridine; hydrogen fluoride In tetrahydrofuran at 20℃; for 2h; Further stages.; | 60% |
Conditions | Yield |
---|---|
Multistep reaction.; | 59% |
Conditions | Yield |
---|---|
Multistep reaction.; | 59% |
Conditions | Yield |
---|---|
Multistep reaction.; | 59% |
Conditions | Yield |
---|---|
Multistep reaction.; | 59% |
Conditions | Yield |
---|---|
Multistep reaction.; | 58% |
10-deacetylpaclitaxel
propionic acid anhydride
cyclopropanecarboxylic acid
Conditions | Yield |
---|---|
Multistep reaction.; | 58% |
10-deacetylpaclitaxel
benzoic acid anhydride
cyclopropanecarboxylic acid
Conditions | Yield |
---|---|
Multistep reaction.; | 58% |
Conditions | Yield |
---|---|
Multistep reaction.; | 57% |
Conditions | Yield |
---|---|
Multistep reaction.; | 56% |
Conditions | Yield |
---|---|
Stage #1: 10-deacetylpaclitaxel With 1H-imidazole; chlorinated PS-DES resin In dichloromethane at 20℃; for 24h; Stage #2: crotonic anhydride With cerium(III) chloride In tetrahydrofuran at 20℃; for 24h; Stage #3: With pyridine; hydrogen fluoride In tetrahydrofuran at 20℃; for 2h; Further stages.; | 56% |
Conditions | Yield |
---|---|
Multistep reaction.; | 56% |
Conditions | Yield |
---|---|
Multistep reaction.; | 55% |
Conditions | Yield |
---|---|
Multistep reaction.; | 54% |
Conditions | Yield |
---|---|
Stage #1: 10-deacetylpaclitaxel With 1H-imidazole; chlorinated PS-DES resin In dichloromethane at 20℃; for 24h; Stage #2: propionic acid anhydride With cerium(III) chloride In tetrahydrofuran at 20℃; for 24h; Stage #3: With pyridine; hydrogen fluoride In tetrahydrofuran at 20℃; for 2h; Further stages.; | 54% |
The Deacetyltaxol, with the CAS registry number 78432-77-6, belongs to the following product categories: Miscellaneous Biochemicals; Intermediates & Fine Chemicals; Pharmaceuticals. And the molecular formula of the chemical is C45H49NO13.
The characteristics of this chemical are as followings: (1)ACD/LogP: 6.74; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 6.74; (4)ACD/LogD (pH 7.4): 6.74; (5)ACD/BCF (pH 5.5): 77665.09; (6)ACD/BCF (pH 7.4): 77652.99; (7)ACD/KOC (pH 5.5): 110154.85; (8)ACD/KOC (pH 7.4): 110137.68; (9)#H bond acceptors: 14; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 162.43 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 209.68 cm3; (15)Molar Volume: 573.2 cm3; (16)Polarizability: 83.12×10-24cm3; (17)Surface Tension: 71.6 dyne/cm; (18)Density: 1.41 g/cm3; (19)Flash Point: 534.1 °C; (20)Enthalpy of Vaporization: 146.36 kJ/mol; (21)Boiling Point: 959.5 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccccc1)N[C@@H](c2ccccc2)[C@@H](O)C(=O)O[C@@H]5C(=C4/[C@@H](O)C(=O)[C@]7([C@H]([C@H](OC(=O)c3ccccc3)[C@@](O)(C4(C)C)C5)[C@@]6(OC(=O)C)[C@H](OC6)C[C@@H]7O)C)/C
(2)InChI: O=C(c1ccccc1)N[C@@H](c2ccccc2)[C@@H](O)C(=O)O[C@@H]5C(=C4/[C@@H](O)C(=O)[C@]7([C@H]([C@H](OC(=O)c3ccccc3)[C@@](O)(C4(C)C)C5)[C@@]6(OC(=O)C)[C@H](OC6)C[C@@H]7O)C)/C
(3)InChIKey: TYLVGQKNNUHXIP-MHHARFCSBM
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