6-Benzoxazolesulfonylchloride,2,3-dihydro-3-methyl-2-oxo-(9CI)
- Product Name
- 6-Benzoxazolesulfonylchloride,2,3-dihydro-3-methyl-2-oxo-(9CI)
- CAS No.
- 62522-63-8
- Chemical Name
- 6-Benzoxazolesulfonylchloride,2,3-dihydro-3-methyl-2-oxo-(9CI)
- Synonyms
- ST5290029;BAS 10307578;3-methyl-2-oxo-1,3-benzoxazole-6-sulfonyl chloride;2-keto-3-methyl-1,3-benzoxazole-6-sulfonyl chloride;6-Benzoxazolesulfonyl chloride, 2,3-dihydro-3-methyl-2-oxo-;3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonyl chloride;6-(Chlorosulphonyl)-2,3-dihydro-3-methyl-2-oxo-1,3-benzoxazole;2,3-Dihydro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonyl chloride;6-Benzoxazolesulfonylchloride,2,3-dihydro-3-methyl-2-oxo-(9CI);2,3-Dihydro-3-methyl-2-oxo-1,3-benzoxazole-6-sulphonyl chloride
- CBNumber
- CB51276652
- Molecular Formula
- C8H6ClNO4S
- Formula Weight
- 247.66
- MOL File
- 62522-63-8.mol
6-Benzoxazolesulfonylchloride,2,3-dihydro-3-methyl-2-oxo-(9CI) Property
- Melting point:
- 137-139℃
- Boiling point:
- 388.2±44.0 °C(Predicted)
- Density
- 1.610±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- pka
- -5.07±0.20(Predicted)
- InChI
- InChI=1S/C8H6ClNO4S/c1-10-6-3-2-5(15(9,12)13)4-7(6)14-8(10)11/h2-4H,1H3
- InChIKey
- MRSCMVKREGBNOW-UHFFFAOYSA-N
- SMILES
- O1C2=CC(S(Cl)(=O)=O)=CC=C2N(C)C1=O
Safety
- Hazard Codes
- C
- Risk Statements
- 14-22-29-34
- Safety Statements
- 8-22-26-30-36/37/39-45
- WGK Germany
- 3
- HS Code
- 2934999090
- Storage Class
- 11 - Combustible Solids
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H302Harmful if swallowed
H314Causes severe skin burns and eye damage
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P309+P311IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
N-Bromosuccinimide Price
- Product number
- CBR01405
- Product name
- 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride
- Purity
- Aldrich
- Packaging
- 1g
- Price
- $352
- Updated
- 2026/03/19
- Product number
- V6956
- Product name
- 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride
- Packaging
- 250mg
- Price
- $117
- Updated
- 2021/12/16
- Product number
- 8H62-5-X3
- Product name
- 2,3-Dihydro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonyl chloride
- Packaging
- 250mg
- Price
- $180
- Updated
- 2021/12/16
- Product number
- V6956
- Product name
- 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride
- Packaging
- 1g
- Price
- $197
- Updated
- 2021/12/16
- Product number
- 027262
- Product name
- 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride
- Packaging
- 500mg
- Price
- $252
- Updated
- 2021/12/16
6-Benzoxazolesulfonylchloride,2,3-dihydro-3-methyl-2-oxo-(9CI) Chemical Properties,Usage,Production
Synthesis
21892-80-8
62522-63-8
The general procedure for the synthesis of 3-methyl-2-oxo-2,3-dihydro-1,3-benzazole-6-sulfonyl chloride from 3-methyl-2-benzoxazolidinone was as follows: 3-methyl-2-benzoxazolidinone (0.600 g, 4.02 mmol) was slowly added to chlorosulfonic acid (2.343 g, 20.1 mmol) in batches at 0 °C. After the addition was completed, the reaction system was warmed up to 60 °C and the reaction was continuously stirred for 2 hours. Upon completion of the reaction, the mixture was cooled to room temperature and slowly poured into crushed ice, at which point a precipitate was generated. The precipitate was collected by filtration. The resulting solid was dissolved in ethyl acetate (EtOAc), the organic layer was washed sequentially with water and saturated brine, dried over anhydrous magnesium sulfate (MgSO4), and concentrated under reduced pressure to give a light brown solid product, 3-methyl-2-oxo-2,3-dihydro-1,3-benzazole-6-sulfonyl chloride (0.903 g, 91% yield). The product was characterized by 1H NMR (300 MHz, CDCl3): δ 7.99 (dd, J=8.4,1.8Hz, 1H), 7.89 (d, J=1.6Hz, 1H), 7.17 (d, J=8.4Hz, 1H), 3.52 (s, 3H), which is in accordance with the data reported in literature.
References
[1] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 20, p. 4875 - 4889
[2] Chemistry of Heterocyclic Compounds, 2011, vol. 47, # 1, p. 90 - 95
[3] Patent: WO2009/23844, 2009, A2. Location in patent: Page/Page column 123-124
[4] Patent: US2010/16297, 2010, A1. Location in patent: Page/Page column 22
[5] Patent: WO2010/21797, 2010, A1. Location in patent: Page/Page column 88
6-Benzoxazolesulfonylchloride,2,3-dihydro-3-methyl-2-oxo-(9CI) Preparation Products And Raw materials
Raw materials
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