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Chemical Structure| 618-01-9 Chemical Structure| 618-01-9

Structure of 618-01-9

Chemical Structure| 618-01-9

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Product Details of [ 618-01-9 ]

CAS No. :618-01-9
Formula : C8H10O3S
M.W : 186.23
SMILES Code : O=S(C1=CC=C(C)C(C)=C1)(O)=O
MDL No. :MFCD00068353
InChI Key :WYCOJIVDCGJKDB-UHFFFAOYSA-N
Pubchem ID :14756

Safety of [ 618-01-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H290-H335-H314
Precautionary Statements:P234-P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P390-P403+P233-P405-P406-P501
Class:8
UN#:2585
Packing Group:

Application In Synthesis of [ 618-01-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 618-01-9 ]

[ 618-01-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 33105-81-6 ]
  • [ 618-01-9 ]
  • D,L-tert-leucine·3,4-dimethylbenzenesulfonate [ No CAS ]
YieldReaction ConditionsOperation in experiment
76.4% In water; at 10 - 80℃; for 21h; To pure water (10 ml) were added D,L-<strong>[33105-81-6]tert-leucine</strong> (1.31 g, 0.010 mol) and the same aqueous 3,4-dimethylbenzenesulfonic acid solution (3.58 g, containing 0.010 mol of 3,4-dimethylbenzenesulfonic acid) as used in Example 1, and the mixture was treated at 80°C to give a homogeneous solution. This solution was allowed to cool to 10°C and the crystals were allowed to precipitate at 10°C for 21 hr. The precipitated crystals were collected by filtration, washed with cold water (1 ml) and acetonitrile (5 ml) and vacuum dried at 40°C for 3 hr to give D,L-<strong>[33105-81-6]tert-leucine</strong>*3,4-dimethylbenzenesulfonate (2.42 g). The crystals were analyzed under HPLC analysis condition 1 to find that the D,L-<strong>[33105-81-6]tert-leucine</strong> content was 41.3 wtpercent and the rate of recovery was 76.4percent. Measurement by powder X-ray diffraction method (using CuKalpha ray as a radiation source) revealed a powder X-ray diffraction pattern as shown in Fig. 3. The melting point was 212-218°C (decomposition).
 

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