Cas no 91177-13-8 (Benzenesulfinic acid, 4-methyl-, (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester, [S(S)]-)

Benzenesulfinic acid, 4-methyl-, (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester, [S(S)]- structure
91177-13-8 structure
Product Name:Benzenesulfinic acid, 4-methyl-, (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester, [S(S)]-
CAS No:91177-13-8
MF:C17H26O2S
MW:294.452144145966
CID:5722557
Update Time:2023-10-26

Benzenesulfinic acid, 4-methyl-, (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester, [S(S)]- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfinic acid, 4-methyl-, (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester, [S(S)]-
    • Inchi: 1S/C17H26O2S/c1-12(2)16-10-7-14(4)11-17(16)19-20(18)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16+,17-,20-/m0/s1
    • InChI Key: NQICGNSARVCSGJ-FORWCCJISA-N
    • SMILES: C1([S@](O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)=O)=CC=C(C)C=C1

Experimental Properties

  • Density: 1.08±0.1 g/cm3(Predicted)
  • Boiling Point: 402.3±38.0 °C(Predicted)

Benzenesulfinic acid, 4-methyl-, (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester, [S(S)]- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triethylamine ;  overnight, rt
Reference
A mixed anhydride approach to the preparation of sulfinate esters and allylic sulfones: Trimethylacetic p-toluenesulfinic anhydride
Jacobsen, Eric; Chavda, Mihir K.; Zikpi, Kokou M.; Waggoner, Stephanie L.; Passini, Daniel J.; et al, Tetrahedron Letters, 2017, 58(31), 3073-3077

Benzenesulfinic acid, 4-methyl-, (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester, [S(S)]- Raw materials

Benzenesulfinic acid, 4-methyl-, (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester, [S(S)]- Preparation Products

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