De-Boc-Docetaxel

Base Information Edit

Chemical Name:De-Boc-Docetaxel
CAS No.:133524-69-3
Molecular Formula:C₃₈H₄₅NO₁₂
Molecular Weight:707.775
Hs Code.:
European Community (EC) Number:813-115-3
UNII:EG6AN1S5YT
ChEMBL ID:CHEMBL2096757
Mol file:133524-69-3.mol

Synonyms:De-Boc-Docetaxel;133524-69-3;N-Deboc-docetaxel;EG6AN1S5YT;10-Deacetyl-3'-debenzoylpaclitaxel;UNII-EG6AN1S5YT;10-Deacetylbaccatin III 13-[BETA(S)-AMINO-ALPHA(R)-HYDROXYPHENYLPROPIONATE];[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;N-DesBoc Docetaxel;CHEMBL2096757;SCHEMBL14008458;BP-23249;10-DEACETYLBACCATIN III 13-[.BETA.(S)-AMINO-.ALPHA.(R)-HYDROXYPHENYLPROPIONATE];BENZENEPROPANOIC ACID, .BETA.-AMINO-.ALPHA.-HYDROXY-, (2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS)-12B-(ACETYLOXY)-12-(BENZOYLOXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,6,11-TRIHYDROXY-4A,8,13,13-TETRAMETHYL-5-OXO-7,11-METHANO-1H-CYCLODECA(3,4)BENZ(1,2-B)OXET-9-YL ESTER, (.ALPHA.R,.BETA.S)-

Suppliers and Price of De-Boc-Docetaxel

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
N-DesBocDocetaxel
5mg
$ 140.00

TRC
N-DesBocDocetaxel
50mg
$ 1110.00

BroadPharm
De-Boc-Docetaxel 95%
100 MG
$ 850.00

Total 7 raw suppliers

Chemical Property of De-Boc-Docetaxel Edit

Chemical Property:

Boiling Point:846.0±65.0 °C(Predicted)
PKA:10.19±0.45(Predicted)
PSA：212.14000
Density:1.41±0.1 g/cm3(Predicted)
LogP:2.39390
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:0
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:10
Exact Mass:707.29417587
Heavy Atom Count:51
Complexity:1430

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

N-DesBocDocetaxel ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)N)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Isomeric SMILES:CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)N)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Uses N-DesBoc Docetaxel is an impurity in the synthesis of Docetaxel (D494420), a semisynthetic derivative of Paclitaxel. An antimitotic agent that promotes the assembly of micro-tubules and inhibits their de-polymerization to free tubulin. An antine oplastic.

Technology Process of De-Boc-Docetaxel

There total 29 articles about De-Boc-Docetaxel 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: 93.5%