No renderable structure data available
CCCCCS(=O)(=O)OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | pentane-1-sulfonic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 35452-30-3 |
| Database ID | 89827 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
pentane-1-sulfonic acid (CAS 35452-30-3) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 89827
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-7722b61e2ff948e385db6c826692e63aConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of (4R)-4-[2,5-dichlorophenyl][4-chlorophenyl)sulfonyl]amino]pentylsulfonic acid (2.34 g, 4.80 mmol) in benzene (10 mL) was added phosphorus pentachloride (1.48 g, 7.21 mmol) at 22° C. The mixture was heated to reflux for 2 hours. This mixture was concentrated under reduced pressure and rediluted with CH2Cl2 (120 mL). This solution was washed with water (100 mL), dried over Na2SO4 and filtered. The organic solution was concentrated to afford 2.21 g of (4R)-4-[2, 5-dichlorophenyl][4-chlorophenyl)sulfonyl]-amino]pentylsulfonyl chloride as pale yellow oil in 91% yield. LC/MS 504. The mixture was heated to reflux for 2 hours This mixture was concentrated under reduced pressure rediluted with CH2Cl2 (120 mL) This solution was washed with water (100 mL) dried over Na2SO4 filtered The organic solution was concentrated
Source ID: ord-11857b598a394b76a1b8c4e97b7b43c7Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of (4R)-4-[2,5-dichlorophenyl][4-chlorophenyl)sulfonyl]amino]pentylsulfonic acid (2.34 g, 4.80 mmol) in benzene (10 mL) was added phosphorus pentachloride (1.48 g, 7.21 mmol) at 22° C. The mixture was heated to reflux for 2 hours. This mixture was concentrated under reduced pressure and rediluted with CH2Cl2 (120 mL). This solution was washed with water (100 mL), dried over Na2SO4 and filtered. The organic solution was concentrated to afford 2.21 g of (4R)-4-[2, 5-dichlorophenyl][4-chlorophenyl)sulfonyl]-amino]pentylsulfonyl chloride as pale yellow oil in 91% yield. LC/MS 504. The mixture was heated to reflux for 2 hours This mixture was concentrated under reduced pressure rediluted with CH2Cl2 (120 mL) This solution was washed with water (100 mL) dried over Na2SO4 filtered The organic solution was concentrated
Source ID: ord-11857b598a394b76a1b8c4e97b7b43c7Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of (4R)-4-[5-chloro-2-(acetoxymethyl)phenyl][4-chlorophenyl)sulfonyl]-amino]pentylsulfonic acid (560 mg, 1.07 mmol) in benzene (5 mL) was added phosphorus pentachloride (445 mg, 2.14 mmol) at 22° C. The mixture was heated to reflux for 2 hours. This mixture was concentrated under reduced pressure and rediluted with CH2Cl2 (100 mL). This solution was washed with water (100 mL), dried over Na2SO4 and filtered. The organic solution was concentrated to afford 442 mg of (4R)-4-[5-chloro-2-(acetoxymethyl)phenyl](4-chlorophenyl)sulfonyl]-amino]pentylsulfonyl chloride as a pale yellow oil in 76% yield. The mixture was heated to reflux for 2 hours This mixture was concentrated under reduced pressure rediluted with CH2Cl2 (100 mL) This solution was washed with water (100 mL) dried over Na2SO4 filtered The organic solution was concentrated
Source ID: ord-b087f401effe4cefac7bac300c01b5f2Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of (4R)-4-[5-chloro-2-(acetoxymethyl)phenyl][4-chlorophenyl)sulfonyl]-amino]pentylsulfonic acid (560 mg, 1.07 mmol) in benzene (5 mL) was added phosphorus pentachloride (445 mg, 2.14 mmol) at 22° C. The mixture was heated to reflux for 2 hours. This mixture was concentrated under reduced pressure and rediluted with CH2Cl2 (100 mL). This solution was washed with water (100 mL), dried over Na2SO4 and filtered. The organic solution was concentrated to afford 442 mg of (4R)-4-[5-chloro-2-(acetoxymethyl)phenyl](4-chlorophenyl)sulfonyl]-amino]pentylsulfonyl chloride as a pale yellow oil in 76% yield. The mixture was heated to reflux for 2 hours This mixture was concentrated under reduced pressure rediluted with CH2Cl2 (100 mL) This solution was washed with water (100 mL) dried over Na2SO4 filtered The organic solution was concentrated
Source ID: ord-b087f401effe4cefac7bac300c01b5f2Conditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1-Pentanesulfonic acid, sodium salt (10 g, 57.5 mmol) was charged into a 250 ml round bottom flask (allow headroom). Thionyl chloride (20 mL) is added; gas evolves, and a while solid forms. The mixture is heated at 60° C. for 3 hours. The solvents are removed in vacuo; toluene is added and removed in vacuo to remove residue of SOCl2. The residue is partitioned between CH2Cl2 and ice water; the organic layer is dried over Na2SO4. The crude product is purified by distillation (bp 54-56° C. @ 0.5 mm Hg) to give a clear oil, 61% yield. The solvents are removed in vacuo toluene is added removed in vacuo to remove residue of SOCl2 The residue is partitioned between CH2Cl2 and ice water the organic layer is dried over Na2SO4 The crude product is purified by distillation (bp 54-56° C. @ 0.5 mm Hg) to give a clear oil, 61% yield
Source ID: ord-5125f71b0c1e42e2885c56215e531849Conditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1-Pentanesulfonic acid, sodium salt (10 g, 57.5 mmol) was charged into a 250 ml round bottom flask (allow headroom). Thionyl chloride (20 mL) is added; gas evolves, and a while solid forms. The mixture is heated at 60° C. for 3 hours. The solvents are removed in vacuo; toluene is added and removed in vacuo to remove residue of SOCl2. The residue is partitioned between CH2Cl2 and ice water; the organic layer is dried over Na2SO4. The crude product is purified by distillation (bp 54-56° C. @ 0.5 mm Hg) to give a clear oil, 61% yield. The solvents are removed in vacuo toluene is added removed in vacuo to remove residue of SOCl2 The residue is partitioned between CH2Cl2 and ice water the organic layer is dried over Na2SO4 The crude product is purified by distillation (bp 54-56° C. @ 0.5 mm Hg) to give a clear oil, 61% yield
Source ID: ord-5125f71b0c1e42e2885c56215e531849Conditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1-Pentanesulfonic acid, sodium salt (10 g, 57.5 mmol) was charged into a 250 ml round bottom flask (allow headroom). Thionyl chloride (20 mL) is added; gas evolves, and a while solid forms. The mixture is heated at 60° C. for 3 hours. The solvents are removed in vacuo; toluene is added and removed in vacuo to remove residue of SOCl2. The residue is partitioned between CH2Cl2 and ice water; the organic layer is dried over Na2SO4. The crude product is purified by distillation (bp 54-56° C. @ 0.5 mm Hg) to give a clear oil, 61% yield. The solvents are removed in vacuo toluene is added removed in vacuo to remove residue of SOCl2 The residue is partitioned between CH2Cl2 and ice water the organic layer is dried over Na2SO4 The crude product is purified by distillation (bp 54-56° C. @ 0.5 mm Hg) to give a clear oil, 61% yield
Source ID: ord-f2b8a0db426f4ca69e50e0ca0d1be33bConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-7722b61e2ff948e385db6c826692e63aConditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1-Pentanesulfonic acid, sodium salt (10 g, 57.5 mmol) was charged into a 250 ml round bottom flask (allow headroom). Thionyl chloride (20 mL) is added; gas evolves, and a while solid forms. The mixture is heated at 60° C. for 3 hours. The solvents are removed in vacuo; toluene is added and removed in vacuo to remove residue of SOCl2. The residue is partitioned between CH2Cl2 and ice water; the organic layer is dried over Na2SO4. The crude product is purified by distillation (bp 54-56° C. @ 0.5 mm Hg) to give a clear oil, 61% yield. The solvents are removed in vacuo toluene is added removed in vacuo to remove residue of SOCl2 The residue is partitioned between CH2Cl2 and ice water the organic layer is dried over Na2SO4 The crude product is purified by distillation (bp 54-56° C. @ 0.5 mm Hg) to give a clear oil, 61% yield
Source ID: ord-9e501c0e65df4a378185c942e6f0dc59Conditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1-Pentanesulfonic acid, sodium salt (10 g, 57.5 mmol) was charged into a 250 ml round bottom flask (allow headroom). Thionyl chloride (20 mL) is added; gas evolves, and a while solid forms. The mixture is heated at 60° C. for 3 hours. The solvents are removed in vacuo; toluene is added and removed in vacuo to remove residue of SOCl2. The residue is partitioned between CH2Cl2 and ice water; the organic layer is dried over Na2SO4. The crude product is purified by distillation (bp 54–56° C. @ 0.5 mm Hg) to give a clear oil, 61% yield. The solvents are removed in vacuo toluene is added removed in vacuo to remove residue of SOCl2 The residue is partitioned between CH2Cl2 and ice water the organic layer is dried over Na2SO4 The crude product is purified by distillation (bp 54–56° C. @ 0.5 mm Hg) to give a clear oil, 61% yield
Source ID: ord-c58e6bbb020f4c14bbc3fcb2d932a6abConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of (4R)-4-[2,5-dichlorophenyl][4-chlorophenyl)sulfonyl]amino]pentylsulfonic acid (2.34 g, 4.80 mmol) in benzene (10 mL) was added phosphorus pentachloride (1.48 g, 7.21 mmol) at 22° C. The mixture was heated to reflux for 2 hours. This mixture was concentrated under reduced pressure and rediluted with CH2Cl2 (120 mL). This solution was washed with water (100 mL), dried over Na2SO4 and filtered. The organic solution was concentrated to afford 2.21 g of (4R)-4-[2, 5-dichlorophenyl][4-chlorophenyl)sulfonyl]-amino]pentylsulfonyl chloride as pale yellow oil in 91% yield. LC/MS 504. The mixture was heated to reflux for 2 hours This mixture was concentrated under reduced pressure rediluted with CH2Cl2 (120 mL) This solution was washed with water (100 mL) dried over Na2SO4 filtered The organic solution was concentrated
Source ID: ord-11857b598a394b76a1b8c4e97b7b43c7PubChem References
These sources are listed in the compound's public database record.
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