Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(+)-Dibenzoyl-D-tartaric acid |
EINECS | 241-097-1 |
CAS No. | 17026-42-5 | Density | 1.438 g/cm3 |
PSA | 127.20000 | LogP | 1.60680 |
Solubility | insoluble in water | Melting Point |
154-156 ºC (lit.) |
Formula | C18H14O8 | Boiling Point | 606.6 ºC at 760 mmHg |
Molecular Weight | 358.304 | Flash Point | 221.8 ºC |
Transport Information | N/A | Appearance | white to light yellow crystal powder |
Safety | 26-36/37/39 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
[+]-Dibenzoyltartaric acid;Dibenzoyl-D-tartaric acid;D-(+)-Di-Benzoyltartaric Acid (D-DBTA);D-(+)-Di-Benzoyltartaric acid;D-DBTA; |
Article Data | 19 |
A
(SR)-(+/-)-1-phenyl-2-(1-pyrrolidinyl)-1-propanone
B
O,O'-dibenzoyl-D-tartaric acid
Conditions | Yield |
---|---|
With hydrogenchloride; sodium hydroxide In water; ethyl acetate at 80℃; for 5h; pH=2 - 11.5; | A 87.6% B n/a |
Conditions | Yield |
---|---|
With hydrogenchloride In water for 0.166667h; Product distribution / selectivity; | A n/a B 65.5% |
(+/-)-2,3-O-dibenzoyltartaric acid
O,O'-dibenzoyl-D-tartaric acid
O,O'-dibenzoyl-D-tartaric acid
Conditions | Yield |
---|---|
With water |
(+/-)-2,3-O-dibenzoyltartaric acid
A
O,O'-dibenzoyl-D-tartaric acid
B
O,O'-dibenzoyl-L-tartaric acid
Conditions | Yield |
---|---|
With N-isopropylcarbamoyl-derivatized cyclofructan-6 column In methanol; acetic acid; triethylamine; acetonitrile at 20℃; Resolution of racemate; |
rac-tartaric acid dibenzoate
A
O,O'-dibenzoyl-D-tartaric acid
B
O,O'-dibenzoyl-L-tartaric acid
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; |
tapentadol
O,O'-dibenzoyl-D-tartaric acid
Conditions | Yield |
---|---|
In acetone at 20℃; for 3h; | 100% |
O,O'-dibenzoyl-D-tartaric acid
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% |
ethyloxirane
dimethylsulfide
O,O'-dibenzoyl-D-tartaric acid
dimethyl 2-hydroxybutyl sulfonium dibenzoyltartrate
Conditions | Yield |
---|---|
In dichloromethane for 24h; Ambient temperature; | 99% |
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