Basic information Safety Supplier Related

CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE

Basic information Safety Supplier Related

CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE Basic information

Product Name:
CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
Synonyms:
  • 2-Cyano-3-ethoxy-2-proenoicacidethylester
  • 3-Isobenzofuranedione,hexahydro-,cis-1
  • cis-cyclohexane-1,2-dicarboxylicacidanhydride
  • Hexahydro-2-benzofuran-1,3-dione
  • (3aS)-3aα,4,5,6,7,7aα-Hexahydroisobenzofuran-1,3-dione
  • (3aα,7aα)-Octahydroisobenzofuran-1,3-dione
  • 3aα,4,5,6,7,7aα-Hexahydroisobenzofuran-1,3-dione
  • (1R)-Cyclohexane-1β,2α-dicarboxylic anhydride
CAS:
13149-00-3
MF:
C8H10O3
MW:
154.16
EINECS:
236-086-3
Product Categories:
  • Pharmaceutical Intermediates
Mol File:
13149-00-3.mol
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CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE Chemical Properties

Melting point:
32-34 °C(lit.)
Boiling point:
158 °C17 mm Hg(lit.)
Density 
1.23
refractive index 
1.4750 (estimate)
Flash point:
>230 °F
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
solubility 
Chloroform (Slightly), Methanol (Slightly)
form 
Crystalline Low Melting Solid
color 
White to almost white
Sensitive 
Moisture Sensitive
BRN 
83214
Stability:
Moisture Sensitive
CAS DataBase Reference
13149-00-3(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xn
Risk Statements 
41-42/43
Safety Statements 
23-24-26-37/39
WGK Germany 
1
10-21
HS Code 
29420000

MSDS

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CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE Usage And Synthesis

Chemical Properties

white to almost white cryst. low melting solid

Uses

(3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione is a reagent used in the synthesis of Pregabalin (P704800), a GABA analogue used as an anticonvulsant. Also used to prepare P2X7 receptor antagonists.

Purification Methods

It has been obtained by heating the trans-acid or anhydride at 200o. Crystallise it from *C6H6/Et2O or distil it. [Kohler & Jansen J Am Chem Soc 60 2145 1938, Abell J Org Chem 22 769 1957, Beilstein 17 II 452, 17 III/IV 5931.]

CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE Preparation Products And Raw materials

Raw materials

CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDESupplier

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