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114915-17-2

7-Troc-paclitaxel, also known as 7-[(2,2,2,-Trichloroethyl)oxy]carbonyl Paclitaxel, is a chemical compound derived from paclitaxel, a widely used chemotherapeutic agent. It is characterized by the presence of a trichloroethyloxycarbonyl group at the C-7 position, which distinguishes it from its parent compound. This modification enhances its reactivity and utility in the synthesis of other taxane-based drugs.
Used in Pharmaceutical Industry:
7-Troc-paclitaxel is used as a reactant/reagent for the semisynthesis of Taxol (paclitaxel) and Docetaxel. It serves as a key intermediate in the direct esterification of deacetylbaccatin with the C13 side chain, allowing for the production of these important anti-cancer drugs.
Used in Anti-Tumor Agent Synthesis:
7-Troc-paclitaxel is also used as a reactant/reagent in the synthetic preparation and reaction of various anti-tumor agents. Its unique chemical structure makes it a valuable building block for the development of novel cancer therapies, potentially leading to more effective treatments with fewer side effects.

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  • 114915-17-2 Structure

  • Basic information

    1. Product Name: 7-Troc-paclitaxel
    2. Synonyms: 7-(2,2,2-Trichloroethyloxycarbonyl)taxol;7-Troc-Paclitaxel;(N-1)Paxlitaxl intermediate 2
    3. CAS NO:114915-17-2
    4. Molecular Formula: C50H52Cl3NO16
    5. Molecular Weight: 1029.30398
    6. EINECS: N/A
    7. Product Categories: API
    8. Mol File: 114915-17-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 1041.1±65.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.46±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 11.90±0.20(Predicted)
    10. CAS DataBase Reference: 7-Troc-paclitaxel(CAS DataBase Reference)
    11. NIST Chemistry Reference: 7-Troc-paclitaxel(114915-17-2)
    12. EPA Substance Registry System: 7-Troc-paclitaxel(114915-17-2)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 114915-17-2(Hazardous Substances Data)

114915-17-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 114915-17-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,9,1 and 5 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 114915-17:
(8*1)+(7*1)+(6*4)+(5*9)+(4*1)+(3*5)+(2*1)+(1*7)=112
112 % 10 = 2
So 114915-17-2 is a valid CAS Registry Number.

114915-17-2Synthetic route

benzoyl chloride
98-88-4

benzoyl chloride

C43H48Cl3NO15
114915-15-0

C43H48Cl3NO15

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
With sodium hydrogencarbonate In water; ethyl acetate87%
In pyridine for 3h; Ambient temperature;
10-deacetylbaccatin III
32981-86-5

10-deacetylbaccatin III

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 71 percent / pyridine / 0.5 h / 80 °C
2: 99 percent / DCC, DMAP / toluene / 2 h / 80 °C
3: 80 percent / HCOOH / 4 h / 20 °C
4: 87 percent / NaHCO3 / ethyl acetate; H2O
View Scheme
(2R,3S)-3-amino-2-hydroxy-3-phenylpropionic acid ethyl ester
143615-00-3

(2R,3S)-3-amino-2-hydroxy-3-phenylpropionic acid ethyl ester

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 76 percent / NaHCO3 / CH2Cl2 / 20 °C
2: 99 percent / pyridinium paratoluenesulfonate (PTSP) / toluene / 80 °C
3: 100 percent / LiOH, H2O / ethanol / 20 °C
4: 99 percent / DCC, DMAP / toluene / 2 h / 80 °C
5: 80 percent / HCOOH / 4 h / 20 °C
6: 87 percent / NaHCO3 / ethyl acetate; H2O
View Scheme
(2R,3S)-3-azido-2-hydroxy-benzenepropanoic acid ethyl ester
144787-20-2

(2R,3S)-3-azido-2-hydroxy-benzenepropanoic acid ethyl ester

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: 86 percent / H2 / 10percent Pd/C / ethyl acetate / 760 Torr
2: 76 percent / NaHCO3 / CH2Cl2 / 20 °C
3: 99 percent / pyridinium paratoluenesulfonate (PTSP) / toluene / 80 °C
4: 100 percent / LiOH, H2O / ethanol / 20 °C
5: 99 percent / DCC, DMAP / toluene / 2 h / 80 °C
6: 80 percent / HCOOH / 4 h / 20 °C
7: 87 percent / NaHCO3 / ethyl acetate; H2O
View Scheme
7-(2,2,2-trichloroethyloxycarbonyl)baccatin III
103150-33-0

7-(2,2,2-trichloroethyloxycarbonyl)baccatin III

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 99 percent / DCC, DMAP / toluene / 2 h / 80 °C
2: 80 percent / HCOOH / 4 h / 20 °C
3: 87 percent / NaHCO3 / ethyl acetate; H2O
View Scheme
Multi-step reaction with 4 steps
1: 95 percent / dicyclohexylcarbodiimide, 4-dimethyl-aminopyridine, / 15 h / 70 °C
2: AgNO3, OsO4, / acetonitrile; 2-methyl-propan-2-ol / 24 h / Ambient temperature
3: ISi(CH3)3 / acetonitrile / 0.5 h / 0 °C
4: pyridine / 3 h / Ambient temperature
View Scheme
Multi-step reaction with 4 steps
1: 95 percent / dicyclohexylcarbodiimide, 4-dimethyl-aminopyridine, / 15 h / 70 °C
2: AgNO3, OsO4, / acetonitrile; 2-methyl-propan-2-ol / 24 h / Ambient temperature
3: ISi(CH3)3 / acetonitrile / 0.5 h / 0 °C
4: pyridine / 3 h / Ambient temperature
View Scheme
benzaldehyde
100-52-7

benzaldehyde

aminoguanidine salt

aminoguanidine salt

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 10 steps
1: 1.) Et3N, Bu2BOTf / 1.) CH2Cl2, -70 to 20 deg C, 2 h, 2.) -78 to 0 deg C, 1 h
2: 81 percent / tetrahydrofuran / 0.25 h / -75 - 15 °C
3: 99 percent / NaN3, NH4Cl / ethanol / 8 h / 60 °C
4: 86 percent / H2 / 10percent Pd/C / ethyl acetate / 760 Torr
5: 76 percent / NaHCO3 / CH2Cl2 / 20 °C
6: 99 percent / pyridinium paratoluenesulfonate (PTSP) / toluene / 80 °C
7: 100 percent / LiOH, H2O / ethanol / 20 °C
8: 99 percent / DCC, DMAP / toluene / 2 h / 80 °C
9: 80 percent / HCOOH / 4 h / 20 °C
10: 87 percent / NaHCO3 / ethyl acetate; H2O
View Scheme
7-triethylsilyl-10-deacetylbaccatin III
115437-18-8

7-triethylsilyl-10-deacetylbaccatin III

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 67 percent / 0.1N HCl / ethanol / 24 h / 0 °C
2: 71 percent / pyridine / 0.5 h / 80 °C
3: 99 percent / DCC, DMAP / toluene / 2 h / 80 °C
4: 80 percent / HCOOH / 4 h / 20 °C
5: 87 percent / NaHCO3 / ethyl acetate; H2O
View Scheme
ethyl (2R,3R)-3-phenyl-2,3-oxiranepropanoate
126060-73-9

ethyl (2R,3R)-3-phenyl-2,3-oxiranepropanoate

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1: 99 percent / NaN3, NH4Cl / ethanol / 8 h / 60 °C
2: 86 percent / H2 / 10percent Pd/C / ethyl acetate / 760 Torr
3: 76 percent / NaHCO3 / CH2Cl2 / 20 °C
4: 99 percent / pyridinium paratoluenesulfonate (PTSP) / toluene / 80 °C
5: 100 percent / LiOH, H2O / ethanol / 20 °C
6: 99 percent / DCC, DMAP / toluene / 2 h / 80 °C
7: 80 percent / HCOOH / 4 h / 20 °C
8: 87 percent / NaHCO3 / ethyl acetate; H2O
View Scheme
(2R,3S) ethyl N-(t-butoxycarbonyl)-3-phenylisoserine
143527-75-7

(2R,3S) ethyl N-(t-butoxycarbonyl)-3-phenylisoserine

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 99 percent / pyridinium paratoluenesulfonate (PTSP) / toluene / 80 °C
2: 100 percent / LiOH, H2O / ethanol / 20 °C
3: 99 percent / DCC, DMAP / toluene / 2 h / 80 °C
4: 80 percent / HCOOH / 4 h / 20 °C
5: 87 percent / NaHCO3 / ethyl acetate; H2O
View Scheme
(4S,5R)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid
143615-03-6, 143527-70-2

(4S,5R)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 99 percent / DCC, DMAP / toluene / 2 h / 80 °C
2: 80 percent / HCOOH / 4 h / 20 °C
3: 87 percent / NaHCO3 / ethyl acetate; H2O
View Scheme
ethyl (4S,5R)-3-tert-butoxycarbonyl-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylate
143527-74-6

ethyl (4S,5R)-3-tert-butoxycarbonyl-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylate

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 100 percent / LiOH, H2O / ethanol / 20 °C
2: 99 percent / DCC, DMAP / toluene / 2 h / 80 °C
3: 80 percent / HCOOH / 4 h / 20 °C
4: 87 percent / NaHCO3 / ethyl acetate; H2O
View Scheme
(4S,5R)-3-((2S,3R)-2-Bromo-3-hydroxy-3-phenyl-propionyl)-4-methyl-5-phenyl-oxazolidin-2-one
144704-63-2

(4S,5R)-3-((2S,3R)-2-Bromo-3-hydroxy-3-phenyl-propionyl)-4-methyl-5-phenyl-oxazolidin-2-one

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 9 steps
1: 81 percent / tetrahydrofuran / 0.25 h / -75 - 15 °C
2: 99 percent / NaN3, NH4Cl / ethanol / 8 h / 60 °C
3: 86 percent / H2 / 10percent Pd/C / ethyl acetate / 760 Torr
4: 76 percent / NaHCO3 / CH2Cl2 / 20 °C
5: 99 percent / pyridinium paratoluenesulfonate (PTSP) / toluene / 80 °C
6: 100 percent / LiOH, H2O / ethanol / 20 °C
7: 99 percent / DCC, DMAP / toluene / 2 h / 80 °C
8: 80 percent / HCOOH / 4 h / 20 °C
9: 87 percent / NaHCO3 / ethyl acetate; H2O
View Scheme
C51H60Cl3NO17
143527-73-5

C51H60Cl3NO17

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 80 percent / HCOOH / 4 h / 20 °C
2: 87 percent / NaHCO3 / ethyl acetate; H2O
View Scheme
(E)-3-phenylacrylic acid
140-10-3

(E)-3-phenylacrylic acid

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 95 percent / dicyclohexylcarbodiimide, 4-dimethyl-aminopyridine, / 15 h / 70 °C
2: AgNO3, OsO4, / acetonitrile; 2-methyl-propan-2-ol / 24 h / Ambient temperature
3: ISi(CH3)3 / acetonitrile / 0.5 h / 0 °C
4: pyridine / 3 h / Ambient temperature
View Scheme
Multi-step reaction with 4 steps
1: 95 percent / dicyclohexylcarbodiimide, 4-dimethyl-aminopyridine, / 15 h / 70 °C
2: AgNO3, OsO4, / acetonitrile; 2-methyl-propan-2-ol / 24 h / Ambient temperature
3: ISi(CH3)3 / acetonitrile / 0.5 h / 0 °C
4: pyridine / 3 h / Ambient temperature
View Scheme
7(2,2,2-trichloroethyloxycarbonyl)-13-cinnamoyl baccatin III.
114915-24-1

7(2,2,2-trichloroethyloxycarbonyl)-13-cinnamoyl baccatin III.

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: AgNO3, OsO4, / acetonitrile; 2-methyl-propan-2-ol / 24 h / Ambient temperature
2: ISi(CH3)3 / acetonitrile / 0.5 h / 0 °C
3: pyridine / 3 h / Ambient temperature
View Scheme
Multi-step reaction with 3 steps
1: AgNO3, OsO4, / acetonitrile; 2-methyl-propan-2-ol / 24 h / Ambient temperature
2: ISi(CH3)3 / acetonitrile / 0.5 h / 0 °C
3: pyridine / 3 h / Ambient temperature
View Scheme
C48H56Cl3NO17
114915-13-8

C48H56Cl3NO17

C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ISi(CH3)3 / acetonitrile / 0.5 h / 0 °C
2: pyridine / 3 h / Ambient temperature
View Scheme
C50H52Cl3NO16
114915-17-2

C50H52Cl3NO16

taxol
33069-62-4

taxol

Conditions
ConditionsYield
With acetic acid; zinc In methanol at 60℃; for 1h;89%
With acetic acid; zinc In methanol at 60℃; for 2h; Yield given;

114915-17-2Downstream Products

114915-17-2Relevant articles and documents

Improved protection and esterification of a precursor of the taxotere and taxol side chains

Commercon,Bezard,Bernard,Bourzat

, p. 5185 - 5188 (2007/10/02)

(4S,5R)-N-BOC-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylic acid 8 was prepared and efficiently esterified by conveniently protected baccatins 9a,b. Smooth deprotection in formic acid gave the N-deprotected intermediates of Taxotere and taxol. This protocol did not generate any epimerization at C-2′ and constitutes a pratical method to prepare Taxotere, taxol and analogs.

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