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100449-86-3

[2aR-[2aα,4β,4aβ,6β,9α(αR,βS),11α,12α,12aα,12bα]]-β-(BenzoylaMino)-α-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-benzenepropanoic Acid 6,12b-Bis(acety is a complex organic compound with a unique molecular structure. It is characterized by its stereochemistry and functional groups, which contribute to its potential applications in various fields.

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  • 100449-86-3 Structure

  • Basic information

    1. Product Name: [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-β-(BenzoylaMino)-α-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-benzenepropanoic Acid 6,12b-Bis(acety
    2. Synonyms: [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-β-(BenzoylaMino)-α-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-benzenepropanoic Acid 6,12b-Bis(acety;2',7-Bis[(2,2,2-trichloroethoxy)carbonyl]taxol;2',7-Bis-O-{[(2,2,2,-Trichloroethyl)oxy]carbonyl Paclitaxel;2a€,7-Bis-O-{[(2,2,2,-Trichloroethyl)oxy]carbonyl Paclitaxel
    3. CAS NO:100449-86-3
    4. Molecular Formula: C53H53Cl6NO18
    5. Molecular Weight: 1204.70182
    6. EINECS: N/A
    7. Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals;Pharmaceuticals, Intermediates & Fine Chemicals
    8. Mol File: 100449-86-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Refrigerator, under inert atmosphere
    8. Solubility: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
    9. CAS DataBase Reference: [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-β-(BenzoylaMino)-α-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-benzenepropanoic Acid 6,12b-Bis(acety(CAS DataBase Reference)
    10. NIST Chemistry Reference: [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-β-(BenzoylaMino)-α-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-benzenepropanoic Acid 6,12b-Bis(acety(100449-86-3)
    11. EPA Substance Registry System: [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-β-(BenzoylaMino)-α-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-benzenepropanoic Acid 6,12b-Bis(acety(100449-86-3)

  • 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: 100449-86-3(Hazardous Substances Data)

100449-86-3 Usage

Uses

Used in Pharmaceutical Industry:
[2aR-[2aα,4β,4aβ,6β,9α(αR,βS),11α,12α,12aα,12bα]]-β-(BenzoylaMino)-α-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-benzenepropanoic Acid 6,12b-Bis(acety is used as an intermediate in the synthesis of various pharmaceutical compounds. Its unique structure and functional groups make it a valuable building block for the development of new drugs with potential therapeutic applications.
Used in Chemical Research:
[2aR-[2aα,4β,4aβ,6β,9α(αR,βS),11α,12α,12aα,12bα]]-β-(BenzoylaMino)-α-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-benzenepropanoic Acid 6,12b-Bis(acety is also used in chemical research as a model for studying the synthesis, reactivity, and properties of complex organic molecules. Its unique stereochemistry and functional groups provide opportunities for exploring new reaction pathways and developing innovative synthetic strategies.
Used in Material Science:
The compound's unique structure and properties may also find applications in the field of material science, where it could be used to develop new materials with specific properties, such as improved stability, reactivity, or selectivity.

Check Digit Verification of cas no

The CAS Registry Mumber 100449-86-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,0,4,4 and 9 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 100449-86:
(8*1)+(7*0)+(6*0)+(5*4)+(4*4)+(3*9)+(2*8)+(1*6)=93
93 % 10 = 3
So 100449-86-3 is a valid CAS Registry Number.

100449-86-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2',7-Bis[(2,2,2-trichloroethoxy)carbonyl]taxol

1.2 Other means of identification

Product number -
Other names [2aR-[2a|A,4|A,4a|A,6|A,9|A(|AR*,|AS*),11|A,12|A,12a|A,12b|A]]-|A-(Benzoylamino)-|A-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-benzenepropanoic Acid 6,12b-Bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:100449-86-3 SDS

100449-86-3Downstream Products

100449-86-3Relevant articles and documents

Modified Taxols. 2. Oxidation Products of Taxol

Magri, Neal F.,Kingston, David G. I.

, p. 797 - 802 (2007/10/02)

Oxidation of taxol (1) or substituted taxols with Jones' reagent under appropriate conditions yielded 7-oxotaxol (6), 2',7'-dioxotaxol (9), or 2'-oxo-7-acetyltaxol (12).Treatment of 7-oxotaxol with DBU or silica gel yielded a D-secotaxol derivative 14.Hydrogenation of the 2'-acetate derivative of 14 yielded the unstable diketone 16, while hydrogenation of 14 itself followed by workup in methanol gave the lactone 17.

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