ChemicalBook--->CAS DataBase List--->13149-00-3

13149-00-3

13149-00-3 Structure

13149-00-3 Structure
IdentificationMore
[Name]

CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
[CAS]

13149-00-3
[Synonyms]

CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
CIS-CYCLOHEXANE-1,2-DICARBOXYLIC ANHYDRIDE
CIS-HEXAHYDROPHTHALIC ANHYDRIDE
CIS-HHPA
HEXAHYDROPHTHALIC ACID ANHYDRIDE
HEXAHYDROPHTHALIC ANHYDRIDE
HHPA
(3aR,7aS)-Hexahydro-isobenzofuran-1,3-dione
1,3-Isobenzofurandione, hexahydro-, cis-
2-Cyano-3-ethoxy-2-proenoicacidethylester
3-Isobenzofuranedione,hexahydro-,cis-1
cis-cyclohexane-1,2-dicarboxylicacidanhydride
Hexahydro-2-benzofuran-1,3-dione
CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE (HHPA)
1,3-Isobenzofurandione, hexahydro-, (3aR,7aS)-rel-
CIS-1,2-CYCLOHEXANEDECARBOXYLICANHYDRIDE
(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
[EINECS(EC#)]

236-086-3
[Molecular Formula]

C8H10O3
[MDL Number]

MFCD00005926
[Molecular Weight]

154.16
[MOL File]

13149-00-3.mol
Chemical PropertiesBack Directory
[Appearance]

white to almost white cryst. low melting solid
[Melting point ]

32-34 °C(lit.)
[Boiling point ]

158 °C17 mm Hg(lit.)
[density ]

1.23
[refractive index ]

1.4750 (estimate)
[Fp ]

>230 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

Crystalline Low Melting Solid
[color ]

White to almost white
[Sensitive ]

Moisture Sensitive
[BRN ]

83214
[CAS DataBase Reference]

13149-00-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R41:Risk of serious damage to eyes.
R42/43:May cause sensitization by inhalation and skin contact .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24:Avoid contact with skin .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

1
[F ]

10-21
[HS Code ]

29420000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrachlorophthalic anhydride-->trans-1,2-Cyclohexanedicarboxylic acid-->(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID-->(+/-)-TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE-->cis-Hexahydrophthalic acid-->cis-1,2,3,6-Tetrahydrophthalic anhydride
[Preparation Products]

2-hydroxyhexahydro-1H-isoindole-1,3(2H)-dione
Hazard InformationBack Directory
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(13149-00-3)MS
CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(13149-00-3)1HNMR
CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(13149-00-3)13CNMR
CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(13149-00-3)IR1
CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(13149-00-3)IR2
CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(13149-00-3)IR3
CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(13149-00-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

cis-1,2-Cyclohexanedicarboxylic anhydride, 99%(13149-00-3)
[Alfa Aesar]

cis-1,2-Cyclohexanedicarboxylic anhydride, 98%%(13149-00-3)
[Sigma Aldrich]

13149-00-3(sigmaaldrich)
[TCI AMERICA]

cis-1,2-Cyclohexanedicarboxylic Anhydride,>95.0%(GC)(T)(13149-00-3)
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