CAS No.2743-38-6,Dibenzoyl-L-tartaric acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2743-38-6
Name:	Dibenzoyl-L-tartaric acid
Article Data:	22

Formula:	C₁₈H₁₄O₈
Molecular Weight:	358.304
Synonyms:	Butanedioicacid, 2,3-bis(benzoyloxy)-, [R-(R,R)]-;Tartaric acid, dibenzoate (6CI);Tartaric acid, dibenzoate, (-)- (8CI);(-)-2,3-Dibenzoyl-L-tartaric acid;(-)-Dibenzoyl-L-tartaric acid;(-)-O,O'-Dibenzoyl-L-tartaric acid;2,3-Bis(benzoyloxy)tartaric acid;(2R,3R)-Di-O-benzoyltartaric acid;(R,R)-O,O'-Dibenzoyltartaric acid;2,3-Di-O-benzoyl-L-tartaric acid;2,3-Dibenzoyl-L-tartaric acid;(-)-Dibenzoyl-L(+)-tartaric acid;L-(-)-Dibenzoyltartaricacid;L-Dibenzoyltartaric acid;O,O'-Dibenzoyl-(2R,3R)-tartaric acid;O2,O3-Dibenzoyl-L-tartaricacid;
EINECS:	220-374-0
Density:	1.438 g/cm³
Melting Point:	152-155 °C(lit.)
Boiling Point:	606.6 °C at 760 mmHg
Flash Point:	221.8 °C
Solubility:	Slightly soluble in water.
Appearance:	Odorless white crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26-36
PSA:	127.20000
LogP:	1.60680

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Reported in EPA TSCA Inventory.

Specification

The CAS registry number of Dibenzoyltartaric acid is 2743-38-6. Its EINECS registry number is 220-374-0. The IUPAC name is (2R,3R)-2,3-dibenzoyloxybutanedioic acid. In addition, the molecular formula is C₁₈H₁₄O₈ and the molecular weight is 358.30. It is also called butanedioicacid, 2,3-bis(benzoyloxy)-, (2R,3R)-. What's more, it is a kind of white to light yellow crystal powder and belongs to the classes of Pharmaceutical Intermediates; Fine Chemical & Intermediates; Chiral Compounds; Anilines, Amides & Amines; Bromine Compounds; Carboxylic Acids (Chiral); Chiral Building Blocks; Synthetic Organic Chemistry; Hydroxy Acids & Deriv.; Chiral Compound. Moreover, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 5.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 105.2 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 86.31 cm³; (15)Molar Volume: 249.1 cm³; (16)Polarizability: 34.21 ×10^-24cm³; (17)Surface Tension: 65.9 dyne/cm; (18)Density: 1.438 g/cm³; (19)Flash Point: 221.8 °C; (20)Enthalpy of Vaporization: 94.8 kJ/mol; (21)Boiling Point: 606.6 °C at 760 mmHg; (22)Vapour Pressure: 1.45E-15 mmHg at 25°C.

Preparation of Dibenzoyltartaric acid: it can be prepared by di-O-benzoyl-DL-threaric acid-anhydride. This reaction will need reagent aq. HCl. The reaction time is 3.5 hours at reaction temperature of 80-85 °C. The yield is about 94%.

Dibenzoyltartaric acid can be prepared by di-O-benzoyl-DL-threaric acid-anhydride

Uses of Dibenzoyltartaric acid: it can react with (+/-)-a-(3,5-dimethylphenyl)ethylamine to get (S)-a-(3,5-dimethylphenyl)ethylamine L-O,O'-dibenzoyltartrate. This reaction will need solvents ethanol and H₂O. The yield is about 78% by heating.

Dibenzoyltartaric acid can react with (+/-)-a-(3,5-dimethylphenyl)ethylamine to get (S)-a-(3,5-dimethylphenyl)ethylamine L-O,O'-dibenzoyltartrate

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c2ccccc2
(2)InChI: InChI=1/C18H14O8/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)/t13-,14-/m1/s1
(3)InChIKey: YONLFQNRGZXBBF-ZIAGYGMSBP