ChemicalBook--->CAS DataBase List--->14166-21-3

14166-21-3

14166-21-3 Structure

14166-21-3 Structure
IdentificationBack Directory
[Name]

(+/-)-TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
[CAS]

14166-21-3
[Synonyms]

Einecs 238-009-9
TRANS-HEXAHYDROPHTHALIC ANHYDRIDE
trans-Hexahydroisobenzofuran-1,3-dione
1,3-Isobenzofurandione, hexahydro-, trans-
TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
trans-cyclohexane-1,2-dicarboxylic anhydride
trans-1,2-Cyclohexanedicarboxylic anhydride 97%
(+/-)-TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
1,3-Isobenzofurandione,hexahydro-, (3aR,7aR)-rel-
cis-1.2-Cyclohexane dicarboxylic anhydride 1g [14166-21-3]
trans-1,2-Cyclohexanedicarboxylic anhydride,trans-Hexahydrophthalic anhydride
[EINECS(EC#)]

238-009-9
[Molecular Formula]

C8H10O3
[MDL Number]

MFCD00064345
[MOL File]

14166-21-3.mol
[Molecular Weight]

154.16
Chemical PropertiesBack Directory
[Melting point ]

145-147 °C(lit.)
[Boiling point ]

283.4±0.0 °C(Predicted)
[density ]

1.235±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Acetone (Sparingly), Chloroform (Slightly), DMSO (Slightly)
[form ]

Solid
[color ]

White to Pale Beige
[Stability:]

Moisture Sensitive
[InChI]

1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6-/m0/s1
[InChIKey]

MUTGBJKUEZFXGO-WDSKDSINSA-N
[SMILES]

O=C1OC(=O)[C@H]2CCCC[C@H]12
[CAS DataBase Reference]

14166-21-3
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-42/43-41
[Safety Statements ]

26-27-36/37/39-37/39-24-23
[WGK Germany ]

3
[HS Code ]

29172090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Resp. Sens. 1
Skin Sens. 1
Hazard InformationBack Directory
[Uses]

Trans-1,2-cyclohexanedicarboxylic anhydride can be used as a reagent to prepare hepatitis C virus (HCV) and granzyme B (indoline derivatives) inhibitors. It has also been employed in studies relating to the development of protein kinase C inhibitors.
[Purification Methods]

Crystallise the anhydride from *C6H6/Et2O. It has been obtained by heating the cis-acid or anhydride with HCl at 180o for 3hours. It can be obtained from the acid by heating in Ac2O. It sublimes at 125-135o/0.02mm. [Kohler & Jansen J Am Chem Soc 60 2145 1938, Fichter & Simon Helv Chim Acta 17 1218 1934, Beilstein 9 IV 2802.]
Spectrum DetailBack Directory
[Spectrum Detail]

(+/-)-TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(14166-21-3)MS
(+/-)-TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(14166-21-3)1HNMR
(+/-)-TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(14166-21-3)13CNMR
(+/-)-TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(14166-21-3)IR1
(+/-)-TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(14166-21-3)IR2
(+/-)-TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(14166-21-3)Raman
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