CAS No.17026-42-5,(+)-Dibenzoyl-D-tartaric acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	17026-42-5
Name:	(+)-Dibenzoyl-D-tartaric acid
Article Data:	19

Formula:	C₁₈H₁₄O₈
Molecular Weight:	358.304
Synonyms:	[+]-Dibenzoyltartaric acid;Dibenzoyl-D-tartaric acid;D-(+)-Di-Benzoyltartaric Acid (D-DBTA);D-(+)-Di-Benzoyltartaric acid;D-DBTA;
EINECS:	241-097-1
Density:	1.438 g/cm³
Melting Point:	154-156 ºC (lit.)
Boiling Point:	606.6 ºC at 760 mmHg
Flash Point:	221.8 ºC
Solubility:	insoluble in water
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26-36/37/39
PSA:	127.20000
LogP:	1.60680

Synthetic route

: L-1-phenyl-2-(1-pyrrolidinyl)-1-propanone-(-)-dibenzoyl-L-tartaric acid salt

A: 19134-50-0
(SR)-(+/-)-1-phenyl-2-(1-pyrrolidinyl)-1-propanone

B: 17026-42-5
O,O'-dibenzoyl-D-tartaric acid

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide In water; ethyl acetate at 80℃; for 5h; pH=2 - 11.5;	A 87.6% B n/a

: S-nicotine dibenzoyl-d-tartrate

A: 17026-42-5
O,O'-dibenzoyl-D-tartaric acid

B: 54-11-5
nicotin

Conditions

Conditions	Yield
With hydrogenchloride In water for 0.166667h; Product distribution / selectivity;	A n/a B 65.5%

: 147-71-7
D-tartaric acid

: 98-88-4
benzoyl chloride

: 17026-42-5
O,O'-dibenzoyl-D-tartaric acid

: 2743-38-6, 17026-42-5, 22333-70-6, 100632-52-8, 111955-48-7
(+/-)-2,3-O-dibenzoyltartaric acid

: 17026-42-5
O,O'-dibenzoyl-D-tartaric acid

di-O-benzoyl-Dg-tartaric acid-anhydride: di-O-benzoyl-Dg-tartaric acid-anhydride

: 17026-42-5
O,O'-dibenzoyl-D-tartaric acid

Conditions

Conditions	Yield
With water

: 2743-38-6, 17026-42-5, 22333-70-6, 100632-52-8, 111955-48-7
(+/-)-2,3-O-dibenzoyltartaric acid

A: 17026-42-5
O,O'-dibenzoyl-D-tartaric acid

B: 2743-38-6
O,O'-dibenzoyl-L-tartaric acid

Conditions

Conditions	Yield
With N-isopropylcarbamoyl-derivatized cyclofructan-6 column In methanol; acetic acid; triethylamine; acetonitrile at 20℃; Resolution of racemate;

: 2743-38-6, 17026-42-5, 22333-70-6, 100632-52-8, 111955-48-7
rac-tartaric acid dibenzoate

A: 17026-42-5
O,O'-dibenzoyl-D-tartaric acid

B: 2743-38-6
O,O'-dibenzoyl-L-tartaric acid

Conditions

Conditions	Yield
With chiral stationary phase including (R)-naphthylethyl-carbamate-functionalized CF6 In methanol; acetic acid; triethylamine; acetonitrile at 20℃; Purification / work up; Resolution of racemate;
With (3R,7R)-1,9-dimethyl-3,7-diphenyl-2,3,5,7,8,9-hexahydro-1H-diimidazo[1,2-c:2',1'-f][1,3,2]diazaphosphinin-4-ium-5-olate-5-oxide In chloroform-d1 at 23℃; Resolution of racemate;

: 175591-23-8
tapentadol

: 17026-42-5
O,O'-dibenzoyl-D-tartaric acid

: (1R,2R)-3-(3-dimethylamino-1-ethyl-2-methylpropyl)phenol hemi-(2S,3S)-dibenzoyltartrate

Conditions

Conditions	Yield
In acetone at 20℃; for 3h;	100%

: 17026-42-5
O,O'-dibenzoyl-D-tartaric acid

: 2-phenyl-2-(piperidin-2-yl)acetic acid

: d-threo-ritalinic acid dibenzoyl-D-tartrate

Conditions

Conditions	Yield
Stage #1: 2-phenyl-2-(piperidin-2-yl)acetic acid With oxalic acid In methanol; water at 25 - 30℃; for 1h; Stage #2: O,O'-dibenzoyl-D-tartaric acid In methanol; water at 5 - 70℃; for 10h;	100%

: 106-88-7
ethyloxirane

: 75-18-3
dimethylsulfide

: 17026-42-5
O,O'-dibenzoyl-D-tartaric acid

: 140427-67-4
dimethyl 2-hydroxybutyl sulfonium dibenzoyltartrate

Conditions

Conditions	Yield
In dichloromethane for 24h; Ambient temperature;	99%

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Specification

The (+)-Dibenzoyl-D-tartaric acid, with its CAS registry number 17026-42-5, has the IUPAC name of 2,3-dibenzoyloxybutanedioic acid. For being a kind of white to light yellow crystal powder, it is sensitive and hygroscopic and is also insoluble in water. As to its usage, it is usually applied as the intermediate of anthelmintic levamisol, with its product categories including Pharmaceutical Intermediates; Fine Chemical & Intermediates; Chiral Compounds; Substrates; chiral; Chiral chemicals; Hydroxy acids & Deriv.; Chiral Compound.

The characteristics of this chemical are as below: (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; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 86.31 cm³; (15)Molar Volume: 249.1 cm³; (16)Polarizability: 34.21×10^-24 cm³; (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; (23)Exact Mass: 358.068867; (24)MonoIsotopic Mass: 358.068867; (25)Topological Polar Surface Area: 127; (26)Heavy Atom Count: 26; (27)Complexity: 483.

When you are dealing with this chemical, you should be cautious. This chemical is irritating to eyes and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
(2)InChI: InChI=1S/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)
(3)InChIKey: YONLFQNRGZXBBF-UHFFFAOYSA-N

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