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(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID

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(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID Basic information

Product Name:
(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID
Synonyms:
  • (1R,2R)-2-Carbamoyl-cyclohexanecarboxylic acid
  • Lurasidone INT 4
  • (1R,2R)-(-)-1,2-Cyclohexanedicarboxylic acid for synthesis
  • Lurasidone intermediate 6
  • (1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID
  • (1R,2R)-1,2-CYCLOHEXANEDICARBOXYLIC ACID
  • (1R,2R)-(-)-trans-cyclohexane-1,2-dicar-boxylic acid
  • (1R,2R)-(?-trans-Cyclohexane-1,2-dicarboxylic acid
CAS:
46022-05-3
MF:
C8H12O4
MW:
172.18
EINECS:
670-321-4
Product Categories:
  • Chiral Reagents
  • Miscellaneous Reagents
  • Carboxylic Acids (Chiral)
  • Chiral Building Blocks
  • Synthetic Organic Chemistry
  • 46022-05-3
Mol File:
46022-05-3.mol
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(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID Chemical Properties

Melting point:
184 °C
Boiling point:
384.1±35.0 °C(Predicted)
Density 
1.314±0.06 g/cm3(Predicted)
refractive index 
-18 ° (C=1, Acetone)
storage temp. 
Store below +30°C.
solubility 
Soluble in acetone.
form 
Solid
pka
4.18±0.28(Predicted)
color 
White to Off-White
InChI
InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1
InChIKey
QSAWQNUELGIYBC-PHDIDXHHSA-N
SMILES
[C@@H]1(C(O)=O)CCCC[C@H]1C(O)=O
CAS DataBase Reference
46022-05-3(CAS DataBase Reference)
EPA Substance Registry System
1,2-Cyclohexanedicarboxylic acid, (1R,2R)- (46022-05-3)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
WGK Germany 
WGK 3 highly water endangering
HS Code 
29171900
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(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID Usage And Synthesis

Uses

Chiral dicarboxylic acid guests with a two C spacer (1R,2R)-cyclohexane-1,2-dicarboxylic acid and Boc-L-aspartic acid] gave CD-active species.

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