Docetaxel-D9

Base Information

• Chemical Name: Docetaxel-D9
• CAS No.: 940867-25-4
• Molecular Formula: C₄₃H₅₃NO₁₄
• Molecular Weight: 816.821
• Mol file: 940867-25-4.mol

Synonyms:Docetaxel-D9;Taxotere-d9;Docetaxol-d9;N-Debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol-d9;RP 56976-d9;DOCETAXEL, d9-(SH)

Chemical Property of Docetaxel-D9

Chemical Property:

• Melting Point: 163-165°C
• PSA: 224.45000
• LogP: 6.72910
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

Docetaxel-d9 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Docetaxel-D9 is an antineoplastic. An antimitotic agent that promotes the assembly of microtublules and inhibits their depolymerization to free tubulin A labelled semisynthetic derivative of Paclitaxel. An antimitotic agent that promotes the assembly of micro-tubules and inhibits their de-polymerization to free tubulin. An antineoplastic. Labeled Docetaxel, intended for use as an internal standard for the quantification of Docetaxel by GC- or LC-mass spectrometry.

Technology Process of Docetaxel-D9

There total 4 articles about Docetaxel-D9 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:

d9-tert-butylbenzotriazolyl carbonate (1383561-36-1) + 3’-aminodocetaxel formate (1383572-41-5) → d9-docetaxel (940867-25-4)

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 5h;

Reference yield:

d9-tert-butylbenzotriazolyl carbonate (1383561-36-1) + (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate (133524-69-3,133577-36-3,133577-37-4) → d9-docetaxel (940867-25-4)

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 5h;

Reference yield:

2-(tert-[(2)H9]butoxycarbonyloxyimino)-2-phenylacetonitrile (940867-26-5) + (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate (133524-69-3,133577-36-3,133577-37-4) → d9-docetaxel (940867-25-4)

Guidance literature:

In pyridine; at 20 ℃; for 18h;

upstream raw materials:

2-(tert-[⁽²⁾H₉]butoxycarbonyloxyimino)-2-phenylacetonitrile

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate

d₉-tert-butylbenzotriazolyl carbonate

3’-aminodocetaxel formate

Downstream raw materials:

d₉-docetaxel-2'-O-alaninate