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(-)-O,O′-Dibenzoyl-L-tartaric acid monohydrate - 98%, high purity , CAS No.62708-56-9

COA

Grade & Purity:

≥98%

Cas Number: 62708-56-9
Molecular Weight: 376.31
Beilstein Registry Number: 4065263
MDL number: MFCD00149119
PubChem CID: 12275548
PubChem SID: 504767028

In stock

Item Number

D120023

Grouped product items
SKU	Size	Availability	Price
D120023-25g	25g	3	$71.90
D120023-100g	100g	3	$256.90
D120023-500g	500g	1	$1,154.90

View related series

asymmetric synthesis (590) carboxylic acid (2098)

Basic Description

Synonyms	Dibenzoyl L-tartaric acid monohydrate \| MFCD00149119 \| AM81404 \| (2R,3R)-2,3-dibenzoyloxybutanedioic acid;hydrate \| AC8307 \| AKOS016842540 \| (-)-O,O'-Dibenzoyl-L-tartaric acid hydrate \| (2r,3r)-(-)-dibenzoyl-l-tartaric acid monohydrate \| (2R,3R)-2,3-bis(b
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	(-)-O,O′-Dibenzoyl-L-tartaric acid monohydrate may be used as a chiral resolving agent for the resolution of racemic bioactive compounds such as (±)-3-(3-hydroxyphenyl)-N-(1-propyl)-piperidine and (±)-2-(5,6-dimethoxy-1,2,3,4-tetrahydro-1-naphthyl)-imidazoline to isolate the corresponding (-)-enantiomeric forms.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Benzoyl derivatives Monosaccharides Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Benzoyl - Monosaccharide - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504767028
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767028
IUPAC Name	(2R,3R)-2,3-dibenzoyloxybutanedioic acid;hydrate
INCHI	InChI=1S/C18H14O8.H2O/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;/h1-10,13-14H,(H,19,20)(H,21,22);1H2/t13-,14-;/m1./s1
InChIKey	DXDIHODZARUBLA-DTPOWOMPSA-N
Smiles	C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O.O
Isomeric SMILES	C1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O.O
WGK Germany	3
Molecular Weight	376.31
Beilstein	4065263
Reaxy-Rn	14618915
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14618915&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
J1613073	Certificate of Analysis	Jun 06, 2024	D120023
D2024122	Certificate of Analysis	Feb 19, 2024	D120023
F1924257	Certificate of Analysis	Apr 13, 2023	D120023
J2229247	Certificate of Analysis	Jul 20, 2022	D120023
J2229242	Certificate of Analysis	Jul 20, 2022	D120023
F2316927	Certificate of Analysis	Jul 20, 2022	D120023
J2229259	Certificate of Analysis	Jul 20, 2022	D120023
J2229230	Certificate of Analysis	Jul 20, 2022	D120023

Chemical and Physical Properties

Solubility	Soluble in methanol, acetone and organic solvents. Slightly soluble in water.
Sensitivity	Moisture sensitive.
Specific Rotation[α]	-108.5° (C=1,EtOH)
Melt Point(°C)	90-92°C
Molecular Weight	376.300 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	376.079 Da
Monoisotopic Mass	376.079 Da
Topological Polar Surface Area	128.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	483.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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