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| CAS No.: | 73101-64-1 |
|---|---|
| Name: | 1,2-Benzisoxazole-3-methanesulfonic acid sodium salt |
| Molecular Structure: | |
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| Formula: | C8H6NNaO4S |
| Molecular Weight: | 235.196 |
| Synonyms: | 1,2-Benzisoxazole-3-methanesulfonicacid, sodium salt (9CI);Sodium 1,2-benzisoxazole-3-methanesulfonate; |
| Melting Point: | 275ºC dec. |
| PSA: | 91.61000 |
| LogP: | 1.95380 |
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4-oximino-3,4-dihydro-1,2-benzoxathiin-4-one-2,2-dioxide
- 73101-64-1
1,2-benzisoxazole-3-methanesulfonic acid sodium salt
| Conditions | Yield |
|---|---|
| With sodium hydroxide In monoethyleneglycol at 25 - 90℃; for 3h; Product distribution / selectivity; Heating; | 93.26% |
| With sodium hydroxide In water at 20℃; for 3h; | 70% |
| With sodium methylate In methanol at 25 - 30℃; for 9 - 10h; Product distribution / selectivity; |
- 74538-98-0
2-[(E)-Hydroxyimino]-2-(2-hydroxy-phenyl)-ethanesulfonic acid amide
A
- 73101-64-1
1,2-benzisoxazole-3-methanesulfonic acid sodium salt
B
- 81516-48-5
2-(o-hydroxyphenyl)-2-hydroxyiminoethanesulfonic acid ammonium salt
| Conditions | Yield |
|---|---|
| With sodium carbonate at 95℃; for 3h; | A n/a B 10% |
- 68291-97-4
1,2-benzisoxazole-3-methanesulfonamide
- 73101-64-1
1,2-benzisoxazole-3-methanesulfonic acid sodium salt
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 30 percent / H2 / 5percent Pd-C / ethanol 2: 89 percent / hydroxylamine / ethanol / 3 h / Heating 3: 5percent Na2CO3 / 3 h / 95 °C View Scheme |
- 74538-97-9
2-Sulfamoylacetylphenol
- 73101-64-1
1,2-benzisoxazole-3-methanesulfonic acid sodium salt
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 89 percent / hydroxylamine / ethanol / 3 h / Heating 2: 5percent Na2CO3 / 3 h / 95 °C View Scheme |
- 4865-84-3
2-(benzo[d]isoxazol-3-yl)acetic acid
- 73101-64-1
1,2-benzisoxazole-3-methanesulfonic acid sodium salt
| Conditions | Yield |
|---|---|
| Stage #1: 2-(benzo[d]isoxazol-3-yl)acetic acid With chlorosulfonic acid In 1,2-dichloro-ethane at 63 - 79℃; for 1.5h; Stage #2: With sodium hydroxide In water; 1,2-dichloro-ethane pH=>= 11; | |
| Stage #1: 2-(benzo[d]isoxazol-3-yl)acetic acid With chlorosulfonic acid; Ethyl isobutyrate In toluene at 80℃; for 2h; Stage #2: With sodium hydroxide In water pH=10; Product distribution / selectivity; | |
| Stage #1: 2-(benzo[d]isoxazol-3-yl)acetic acid With chlorosulfonic acid; ethyl acetate In dichloromethane; toluene at 70℃; for 2h; Stage #2: With sodium hydroxide In water pH=10; Product distribution / selectivity; |
- 37924-85-9
3-bromomethyl-1,2-benzisoxazole
- 73101-64-1
1,2-benzisoxazole-3-methanesulfonic acid sodium salt
| Conditions | Yield |
|---|---|
| With sodium sulfite In methanol; water at 50℃; for 4h; |
- 73101-64-1
1,2-benzisoxazole-3-methanesulfonic acid sodium salt
- 73101-65-2
1,2-benzoxazol-3-ylmethanesulfonyl chloride
| Conditions | Yield |
|---|---|
| With thionyl chloride; N,N-dimethyl-formamide In toluene at 25 - 50℃; for 6h; | 80.9% |
| With thionyl chloride; N,N-dimethyl-formamide In toluene at 20 - 60℃; for 5 - 8h; | |
| With thionyl chloride; N,N-dimethyl-formamide at 5 - 10℃; | |
| With phosgene; N,N-dimethyl-formamide In toluene at 25 - 35℃; for 4h; Reagent/catalyst; Green chemistry; |
- 73101-64-1
1,2-benzisoxazole-3-methanesulfonic acid sodium salt
- 68291-97-4
1,2-benzisoxazole-3-methanesulfonamide
| Conditions | Yield |
|---|---|
| Stage #1: 1,2-benzisoxazole-3-methanesulfonic acid sodium salt In DMF (N,N-dimethyl-formamide); toluene at 10 - 40℃; for 2h; Stage #2: With oxalyl dichloride In DMF (N,N-dimethyl-formamide); toluene at 10 - 18℃; for 2h; Stage #3: With ammonia In DMF (N,N-dimethyl-formamide); toluene at 10 - 18℃; for 2h; Product distribution / selectivity; | 75% |
| Stage #1: 1,2-benzisoxazole-3-methanesulfonic acid sodium salt In DMF (N,N-dimethyl-formamide); toluene at 10 - 40℃; for 1.5h; Stage #2: With oxalyl dichloride In DMF (N,N-dimethyl-formamide); toluene at 10 - 18℃; for 2h; Stage #3: With ammonia In DMF (N,N-dimethyl-formamide); toluene at 10 - 18℃; for 2h; Product distribution / selectivity; | 74.5% |
| Stage #1: 1,2-benzisoxazole-3-methanesulfonic acid sodium salt With triethylamine; trichlorophosphate In 1,2-dichloro-ethane at 77 - 83℃; for 6h; Stage #2: With ammonia In 1,2-dichloro-ethane at 30 - 60℃; | |
| Multi-step reaction with 2 steps 1: phosgene; N,N-dimethyl-formamide / toluene / 4 h / 25 - 35 °C / Green chemistry 2: ammonia / 1 h / 10 - 15 °C / pH 9-10 / Green chemistry View Scheme |
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Specification
The 1,2-Benzisoxazole-3-methanesulfonic acid sodium salt, with the CAS registry number 73101-64-1, is also known as Natrium-1,2-benzoxazol-3-ylmethansulfonat. It belongs to the product category of Zonisamide. This chemical's molecular formula is C8H6NNaO4S and molecular weight is 235.19. Its systematic name is called sodium 1,2-benzisoxazol-3-ylmethanesulfonate.
Physical properties of 1,2-Benzisoxazole-3-methanesulfonic acid sodium salt: (1)#H bond acceptors: 5; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 88.78 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)Cc2noc1ccccc12
(2)InChI: InChI=1/C8H7NO4S.Na/c10-14(11,12)5-7-6-3-1-2-4-8(6)13-9-7;/h1-4H,5H2,(H,10,11,12);/q;+1/p-1
(3)InChIKey: QILCHBOPDIODSB-REWHXWOFAA