Diethyl D-(-)-Tartrate - CAS 13811-71-7

Catalog:	BB008718
Product Name:	Diethyl D-(-)-Tartrate
CAS:	13811-71-7
Synonyms:	(2S,3S)-2,3-dihydroxybutanedioic acid diethyl ester; diethyl (2S,3S)-2,3-dihydroxybutanedioate

Technical Data

IUPAC Name:	diethyl (2S,3S)-2,3-dihydroxybutanedioate
Description:	Diethyl D-(-)-Tartrate (CAS# 13811-71-7) is used as a chiral reagent in a host of chemical reactions, suhc as marin toxin and antitumor agent phorboxazole A, or asymmetric syntheses of S,S-dialkyl-substituted sulfoximines.
Molecular Weight:	206.19
Molecular Formula:	C8H14O6
Canonical SMILES:	CCOC(=O)C(C(C(=O)OCC)O)O
InChI:	InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m0/s1
InChI Key:	YSAVZVORKRDODB-WDSKDSINSA-N
Boiling Point:	162 °C / 19 mmHg
Melting Point:	17 °C
Flash Point:	93.4 °C(200.1 °F)
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	1.205 g/mL
Solubility:	Insoluble in water.
Appearance:	Colorless oil-like liquid
Storage:	Room temperature.
MDL:	MFCD00064451
LogP:	-1.16560
Refractive Index:	1.45
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	0.000467mmHg at 25°C

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PMID	Publication Date	Title	Journal
21888378	20111010	Bioplastics from feather quill	Biomacromolecules
21648411	20110712	Biosynthetic chlorination of the piperazate residue in kutzneride biosynthesis by KthP	Biochemistry
21194237	20110218	Total synthesis of broussonetine F: the orthoamide Overman rearrangement of an allylic diol	Organic letters
20394411	20100507	A practical and azide-free synthetic approach to oseltamivir from diethyl D-tartrate	The Journal of organic chemistry
18962653	20090417	Effect of microemulsion component purity on the chromatographic figures of merit in chiral microemulsion electrokinetic chromatography	Journal of chromatography. A

Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	206.07903816
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	206.07903816
Rotatable Bond Count:	7
Topological Polar Surface Area:	93.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3