3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid - CAS 143527-70-2

Name: 3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009618
Product Name:	3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid
CAS:	143527-70-2
Synonyms:	(4S,5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenyl-5-oxazolidinecarboxylic acid; (4S,5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
Application:	Docetaxel or Paclitaxel intermediate.

Technical Data

IUPAC Name:	(4S,5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
Description:	Docetaxel intermediate.
Molecular Weight:	321.37
Molecular Formula:	C17H23NO5
Canonical SMILES:	CC1(N(C(C(O1)C(=O)O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C
InChI:	InChI=1S/C17H23NO5/c1-16(2,3)23-15(21)18-12(11-9-7-6-8-10-11)13(14(19)20)22-17(18,4)5/h6-10,12-13H,1-5H3,(H,19,20)/t12-,13+/m0/s1
InChI Key:	VAHXMEZCPGHDBJ-QWHCGFSZSA-N
Boiling Point:	459.009 °C at 760 mmHg
Melting Point:	113-114 °C
Purity:	> 95 %
Density:	1.177 g/cm³
Appearance:	Pale brown solid
MDL:	MFCD09263630
LogP:	3.12220

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2016098015-A1	New efficient methods for the synthesis of taxane derivatives such as docetaxel and their structural analogous, and a method for the preparation thereof	20141216
US-2011275841-A1	Preparation of docetaxel	20081120
CN-101012210-A	Taxone derivatives, preparing method and pharmaceutical use thereof	20070206
EP-1871753-A1	Preparation of taxanes from 9-dihydro-13-acetylbaccatin iii	20050331
EP-1871753-A4	PREPARATION OF TAXANES FROM 9-DIHYDRO-13-ACETYLBACCATIN III	20050331

Complexity:	462
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	321.15762283
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	321.15762283
Rotatable Bond Count:	4
Topological Polar Surface Area:	76.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6