2,5-Dioxooxolane-3,4-diyl diacetate
Basic information
- CAS
6283-74-5- Standard SMILES
CC(=O)OC1C(=O)OC(=O)C1OC(C)=O- InChIKey
XAKITKDHDMPGPW-UHFFFAOYSA-N- Molecular formula
- C8H8O7
- Average molar mass
- 216.14 g/mol
- Monoisotopic mass
- 216.02700259
Names & identifiers
- Preferred name
- 2,5-Dioxooxolane-3,4-diyl diacetate
- IUPAC
- (4-acetyloxy-2,5-dioxooxolan-3-yl) acetate
- English name
- (+)-DIACETYL-L-TARTARIC ANHYDRIDE
- Molecular formula
- C8H8O7
- Molecular weight
- 216.14
Names & synonyms
2,5-Dioxooxolane-3,4-diyl diacetateDTXSID20978535RefChem:1060125DTXCID9014058482,5-dioxotetrahydrofuran-3,4-diyl diacetateC8H8O7102779-13-5Tartaric anhydride, diacetateSCHEMBL52102NSC7712BBL010673STK801683
Show more names
DATANSC 7712DIACETYL-L-TARTARIC ANHYDRIDEDI-O-ACETYL-L-TARTARIC ANHYDRIDE(+)-Diacetyl-L-tartaric Anhydride(+)-DI-O-ACETYL-L-WEINSURE-ANHYDRID(+)-Diacetyl-L-tartaricAnhydride>(+)-DI-O-ACETYL-L-TARTARIC ANHYDRIDEO,O-diacetyl tartaric acid anhydride(R,R)-DIACETYLTARTARIC ACID ANHYDRIDE
AKOS005609253DB-073206NS000444682, 3,4-bis(acetyloxy)dihydro-, (3R-trans)-(4-acetoxy-2,5-dioxo-tetrahydrofuran-3-yl) acetate
Database identifiers
- CAS
6283-74-5- PubChem CID
- 95411
- DTXSID
DTXSID20978535- Nikkaji
- J27.244B
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 130 · 130-135 °C(lit.)
- Boiling point
- 316.55 °C · 316.55°C (rough estimate)
- Density
- 1.5197 · 1.5197 (rough estimate)
- refractive index
- 90 ° · 90 ° (C=0.5, CHCl3)
- storage temp.
- 2 · 2-8°C
- solubility
- Acetone, Chloroform (Slightly, Heated)
- form
- Crystals or Needles
- color
- White
- optical activity
- 20 · [α]20/D +59°, c = 6 in acetone
- Water Solubility
- Soluble in methanol and dichloromethane. Slightly soluble in water.
- Sensitive
- Moisture Sensitive
- BRN
- 87315 · 87315
- InChI
- 1S/C8H8O7/c1-3(9)13-5-6(14-4(2)10)8(12)15-7(5)11/h5-6H,1-2H3/t5-,6-/m1/s1
- InChIKey
- XAKITKDHDMPGPW-PHDIDXHHSA-N
- SMILES
- CC(=O)O[C@@H]1[C@@H](OC(C)=O)C(=O)OC1=O
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29321900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesDi-O-acetyl-L-tartaric Anhydride (cas# 6283-74-5) is a compound useful in organic synthesis.
Uses(+)-O,O′-Diacetyl-L-tartaric anhydride may be used as a chiral derivatizating agent in the following:determination of enantiomeric vigabatrin in mouse serum samples using ultra-high performance liquid chromatography-quadrupole-time-of-flight mass spectrometry (UHPLC-Q-TOF-M)determination of trantinterol in rat plasma by ultra performance liquid chromatography–electrospray ionization mass spectrometry (UPLC–MS/MS)
General Description(+)-O,O′-Diacetyl-L-tartaric anhydride is an HPLC derivatization reagent for UV/Vis detection. It is mainly employed as a reagent for the chiral derivatization of amino alcohols. It also reacts with alkanoamines in aprotic medium containing trichloroacetic acid and produces tartaric acid monoesters.
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…