(+)-O,O'-Di-p-toluoyl-D-tartaric Acid - CAS 32634-68-7
Catalog: |
BB021353 |
Product Name: |
(+)-O,O'-Di-p-toluoyl-D-tartaric Acid |
CAS: |
32634-68-7 |
Synonyms: |
(2S,3S)-2,3-bis[(4-methylphenyl)-oxomethoxy]butanedioic acid; (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid |
IUPAC Name: | (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid |
Description: | Inhibitor of enzyme. Rivastigmine USP Related Compound A. |
Molecular Weight: | 386.35 |
Molecular Formula: | C20H18O8 |
Canonical SMILES: | CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O |
InChI: | InChI=1S/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-/m0/s1 |
InChI Key: | CMIBUZBMZCBCAT-HOTGVXAUSA-N |
Boiling Point: | 833.5 °C / 760 mmHg |
Melting Point: | 169-171 °C |
Purity: | ≥ 98 %, ≥ 95 % e.e. |
Density: | 1.371 g/cm3 |
Appearance: | White or off-white powder |
Storage: | Room temperature. |
MDL: | MFCD00008552 |
LogP: | 2.22360 |
GHS Hazard Statement: | H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112358398-A | Recovery preparation method of D- (+) -di-p-toluoyl tartaric acid | 20201119 |
CN-111646985-A | Synthetic method of pyrimidine heterocyclic antitumor drug molecule AZD6738 | 20200601 |
US-2021276976-A1 | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 20200213 |
WO-2021160716-A1 | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 20200213 |
WO-2021126725-A1 | Novel substituted 1,3,8-triazaspiro[4,5]decane-2,4-dione compounds as indoleamine 2,3-dioxygenase (ido) and/or tryptophan 2,3-dioxygenase (tdo) inhibitors | 20191217 |
PMID | Publication Date | Title | Journal |
20586109 | 20110301 | Indirect enantioresolution of (R,S)-mexiletine by reversed-phase high-performance liquid chromatography via diastereomerization with [(S,S)-O,O'-di-p-toluoyl tartaric acid anhydride], (S)-naproxen and nine chiral reagents synthesized as variants of Marfey's reagent | Biomedical chromatography : BMC |
18570311 | 20090301 | Biphasic recognition chiral extraction: A novel method for separation of mandelic acid enantiomers | Chirality |
17355930 | 20070201 | [Synthesis of S-(+)-rivastigmine hydrogentartrate] | Nan fang yi ke da xue xue bao = Journal of Southern Medical University |
15069495 | 20040421 | Elucidation of the mechanism of chiral selectivity in diastereomeric salt formation using organic solvent nanofiltration | Chemical communications (Cambridge, England) |
Complexity: | 533 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 386.10016753 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 386.10016753 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 127 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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