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HomeProduct name list(S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID

(S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID

  • CAS NO.:5708-19-0
  • Empirical Formula: C7H10O2
  • Molecular Weight: 126.15
  • MDL number: MFCD08275437
  • EINECS: 634-675-3
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-03-22 17:12:53
(S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID Structural

What is (S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID?

The Uses of (S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID

(S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.

The Uses of (S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID

(S)-3-Cyclohexene-1-carboxylic Acid has been used as a reactant for the preparation of N-[(1R,2S,5S)-2-{[(5-chloroindol-2-yl)carbonyl]amino}-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide hydrochloride, a potent and orally active direct inhibitor of factor Xa.

Synthesis

54.94 g of cyclohex-3-ene-1(S)-carboxylic acid (R)-(+)-methylbenzylamine salt and 18.2 volumes of H2O were charged to a flask at 20-25°C and stirred. To the mixture obtained further 6.7 volumes of H2O and 10 volumes of EtOAc were added. The mixture obtained was stirred for 15 min, the phases were separated and the organic layer was discarded. The aqueous layer was treated with 10 volumes of MTBE and 2.5 equivalents of 6M HCI were added slowly. The mixture obtained was stirred and two layers were formed, separated and the aqueous layer was extracted with MTBE. The organic layers obtained were combined and washed with aqueous, 30percent NaCl solution. The organic phase obtained was dried over Na2S04, filtered, and from the filtrate obtained solvent was removed in vacuo. Cyclohex-3-ene-1(S)-carboxylic acid in the form of a clear oil was obtained. Yield: 26.13 g (93.3percent of theory).

Properties of (S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID

Melting point: 19°C(lit.)
Boiling point: 118°C/6mmHg(lit.)
Density  1.126±0.06 g/cm3(Predicted)
refractive index  1.4780 to 1.4820
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
pka 4.67±0.20(Predicted)
form  clear liquid
color  Colorless to Almost colorless
InChI InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)/t6-/m1/s1

Safety information for (S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P310:Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for (S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID

InChIKey VUSWCWPCANWBFG-ZCFIWIBFSA-N
SMILES [C@H]1(C(O)=O)CCC=CC1

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