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| CAS No.: | 32634-66-5 |
|---|---|
| Name: | (-)-Di-p-toluoyl-L-tartaric acid |
| Molecular Structure: | |
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|
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| Formula: | C20H18O8 |
| Molecular Weight: | 386.358 |
| Synonyms: | Butanedioicacid, 2,3-bis[(4-methylbenzoyl)oxy]-, [R-(R*,R*)]-;(-)-Di-O,O'-p-toluoyltartaric acid;(-)-O,O-Di-p-toluoyltartaric acid;(2R,3R)-(-)-Di(p-toluoyl)tartaric acid;(R,R)-O,O'-Di-p-toluoyltartaric acid;Di-4-toluoyl-L-tartaric acid;L-Di-O,O'-p-toluyltartaric acid;L-Di-p-toluoyltartaric acid;O,O'-Di-p-toluoyl-(2R,3R)-tartaric acid;Tartaricacid, di-p-toluate; |
| EINECS: | 251-131-7 |
| Density: | 1.371 g/cm3 |
| Melting Point: | 169-171 °C(lit.) |
| Boiling Point: | 626.5 °C at 760 mmHg |
| Flash Point: | 223.2 °C |
| Solubility: | soluble |
| Appearance: | off-white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-36/37-26 |
| PSA: | 136.43000 |
| LogP: | 2.15930 |
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di-O-p-toluoyl-L-threaric acid-anhydride
- 32634-66-5
Di-p-toluoyl-L-tartaric acid
| Conditions | Yield |
|---|---|
| With water |
- 32634-66-5
Di-p-toluoyl-L-tartaric acid
| Conditions | Yield |
|---|---|
| With water; acetone |
| Conditions | Yield |
|---|---|
| at 170℃; for 1h; |
- 869749-09-7
(R)-α-(2,3-dimethoxyphenyl)-4-piperidinemethanol, (2R,3R)-(-)-di-(p-toluoyl)tartaric acid salt
A
- 32634-66-5
Di-p-toluoyl-L-tartaric acid
B
- 243640-19-9
(2,3‐dimethoxyphenyl)(piperidine‐4‐yl)methanol
| Conditions | Yield |
|---|---|
| Stage #1: (R)-α-(2,3-dimethoxyphenyl)-4-piperidinemethanol, (2R,3R)-(-)-di-(p-toluoyl)tartaric acid salt With ammonia In methanol; water for 2h; Stage #2: With hydrogenchloride In water Product distribution / selectivity; | A n/a B n/a |
- 32634-66-5
Di-p-toluoyl-L-tartaric acid
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; water at 30℃; for 2.33333 - 3h; |
- 32634-66-5
Di-p-toluoyl-L-tartaric acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride In tert-butyl methyl ether; water for 0.5h; | 345.5 g |
- 32634-66-5, 32634-68-7, 100168-11-4, 104528-81-6
rac-O,O'-di-p-toluoyltartaric acid
A
- 32634-66-5
Di-p-toluoyl-L-tartaric acid
B
- 32634-68-7
(2S,3S)-di-4-toluoyltartaric acid
| Conditions | Yield |
|---|---|
| With C22H24N2(2+)*2CF3O3S(1-) In aq. acetate buffer at 20℃; pH=8.1; Resolution of racemate; |
- 59729-33-8
1-(3-dimethylamino-propyl)-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile
- 32634-66-5
Di-p-toluoyl-L-tartaric acid
- 1373405-39-0
C20H18O8*C20H21FN2O
| Conditions | Yield |
|---|---|
| In isopropyl alcohol Reflux; | 100% |
- 32634-66-5
Di-p-toluoyl-L-tartaric acid
| Conditions | Yield |
|---|---|
| Stage #1: Di-p-toluoyl-L-tartaric acid; 3-amino-1-(5-bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol In isopropyl alcohol; acetonitrile at 20 - 50℃; for 1.5h; Stage #2: With potassium carbonate In methanol; water at 20 - 30℃; | 99.54% |
- 32634-66-5
Di-p-toluoyl-L-tartaric acid
- 103343-47-1
3-amino-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one
| Conditions | Yield |
|---|---|
| With air In 1,4-dioxane at 20℃; for 24h; | 99% |
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Specification
The CAS registry number of (-)-Di-p-toluoyl-L-tartaric acid is 32634-66-5. Its EINECS registry number is 251-131-7. The IUPAC name is(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid. In addition, the molecular formula is C20H18O8 and the molecular weight is 386.35. What's more, it is a kind of white to light yellow crystal powder and belongs to the classes of Pharmaceutical Intermediates; Chiral Compounds; Miscellaneous; Carboxylic Acids (Chiral); Chiral Building Blocks; for Resolution of Bases; Optical Resolution; Synthetic Organic Chemistry; Hydroxy Acids & Deriv.; Chiral Compound; Inhibitors; Carboxylic Acids Asymmetric Synthesis; Chiral Resolution Reagents; Organic Building Blocks. It should be stored in sealed container, and put in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 6.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 1.42; (6)ACD/BCF (pH 7.4): 1.39; (7)ACD/KOC (pH 5.5): 2.02; (8)ACD/KOC (pH 7.4): 1.97; (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: 1.596; (14)Molar Refractivity: 95.96 cm3; (15)Molar Volume: 281.6 cm3; (16)Polarizability: 38.04 ×10-24cm3; (17)Surface Tension: 60.4 dyne/cm; (18)Density: 1.371 g/cm3; (19)Flash Point: 223.2 °C; (20)Enthalpy of Vaporization: 97.48 kJ/mol; (21)Boiling Point: 626.5 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-16 mmHg at 25°C.
Uses of (-)-Di-p-toluoyl-L-tartaric acid: it can react with 2-[(5-Methylimidazol-4-yl)methylthio]-1-propylamine-Dihydrobromid to get C20H18O8*C8H15N3S. This reaction will need reagent NaOEt/EtOH and solvent aq. ethanol. The yield is about 38% with ambient temperature.
-Di-p-toluoyl-L-tartaric acid 1.jpg)
![(-)-Di-p-toluoyl-L-tartaric acid can react with 2-[(5-Methylimidazol-4-yl)methylthio]-1-propylamine-Dihydrobromid to get C20H18O8*C8H15N3S](/UserFilesUpload/Uses of (-)-Di-p-toluoyl-L-tartaric acid.jpg)
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing and gloves and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, you should not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccc(cc1)C)C(=O)O)c2ccc(cc2)C
(2)InChI: InChI=1/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m1/s1
(3)InChIKey: CMIBUZBMZCBCAT-HZPDHXFCBJ