CAS 77435-44-0

Benzene-2,3,5,6-d4-sulfonyl chloride, 4-(acetylamino)-

Description:

Benzene-2,3,5,6-d4-sulfonyl chloride, 4-(acetylamino)- is a chemical compound characterized by its sulfonyl chloride functional group attached to a benzene ring that has been deuterated at specific positions (2, 3, 5, and 6). The presence of the acetylamino group at the para position (4) enhances its reactivity and solubility in various organic solvents. This compound is typically used in organic synthesis, particularly in the preparation of sulfonamides and other derivatives due to its electrophilic nature. The deuteration indicates that the hydrogen atoms in the benzene ring have been replaced with deuterium, which can be useful in studies involving isotopic labeling. The sulfonyl chloride group is known for its ability to react with amines and alcohols, making this compound valuable in medicinal chemistry and material science. As with many sulfonyl chlorides, it is important to handle this compound with care due to its reactivity and potential to release hydrochloric acid upon hydrolysis.

Formula: C₈H₈ClNO₃S

InChI: InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)/i2D,3D,4D,5D

InChI key: InChIKey=GRDXCFKBQWDAJH-QFFDRWTDSA-N

SMILES: S(Cl)(=O)(=O)C1=C(C(=C(NC(C)=O)C(=C1[2H])[2H])[2H])[2H]

Synonyms:

• Benzene-2,3,5,6-d4-sulfonyl chloride, 4-(acetylamino)-
• 4-Acetamidobenzene D4 sulfonyl Chloride

4-Acetamidobenzene-d4-sulfonylChloride

CAS: 77435-44-0

Formula: CH₃CONHC₆D₄SO₂Cl

Purity: 98 atom % D

Color and Shape: Off White To Grey Solid

Molecular weight: 237.01645

Ref: 3U-D7394

4-Acetamidobenzene-d4-sulfonyl Chloride

Controlled Product

CAS: 77435-44-0

Applications 4-Acetamidobenzene-d4-sulfonyl Chloride is the deuterium labelled form of 4-(Acetylamino)benzenesulfonyl Chloride (A170950), which is a sulfanilamide derivative of Chitosan with antifungal properties.
References Tashiro, T., et al.: Bioorg. Med. Chem., 16, 8896 (2008); Alcalde, E., et al.: J. Med. Chem., 52, 675 (2009);

Formula: C₈D₄H₄ClNO₃S

Color and Shape: Beige

Molecular weight: 237.7

Ref: TR-A170951