4-Hydroxy-1-butanesulfonic acid

Base Information

• Chemical Name: 4-Hydroxy-1-butanesulfonic acid
• CAS No.: 26978-64-3
• Molecular Formula: C15H14 N5 O3
• Molecular Weight: 154.187
• Hs Code.: 2905590090
• European Community (EC) Number: 928-903-3,608-029-6
• NSC Number: 71873
• UNII: 87G94EI36D
• DSSTox Substance ID: DTXSID4067272
• Nikkaji Number: J23.366H
• Wikidata: Q27269823
• ChEMBL ID: CHEMBL1205974
• Mol file: 26978-64-3.mol

Synonyms:26978-64-3;4-Hydroxy-1-butanesulfonic acid;4-hydroxybutane-1-sulfonic acid;1-Butanesulfonic acid, 4-hydroxy-;UNII-87G94EI36D;NSC 163335;87G94EI36D;NSC71873;MFCD28130072;NSC-71873;NSC 71873;NSC163335;4-hydroxybutanesulfonic acid;SCHEMBL51852;4-hydroxy butane sulfonic acid;4-hydroxybutane-1-sulfonicacid;CHEMBL1205974;DTXSID4067272;1-Butanesulfonic acid,4-hydroxy-;AM9862;AKOS027327341;AS-47057;SY226260;CS-0132130;FT-0738796;F11795;EN300-1087055;Q27269823;SULFOBUTYLBETADEX SODIUM IMPURITY C [EP IMPPURITY]

Chemical Property of 4-Hydroxy-1-butanesulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 1.74±0.50(Predicted)
• Flash Point: °C
• PSA: 82.98000
• Density: 1.393g/cm³
• LogP: 0.72750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 154.02997997
• Heavy Atom Count: 9
• Complexity: 142

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Hydroxybutane-1-sulfonicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCS(=O)(=O)O)CO
• Uses: 4-Hydroxy-1-butanesulfonic Acid is used for the enantiomeric separation of a variety of underivatized anionic and cationic compounds of pharmaceutical interest by capillary electrophoresis.

Technology Process of 4-Hydroxy-1-butanesulfonic acid

There total 7 articles about 4-Hydroxy-1-butanesulfonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-Chloro-1-butanol (928-51-8) → 4-hydroxy-butane-1-sulfonic acid (26978-64-3)

Guidance literature:

With water; sodium sulfite;

Reference yield:

sodium 4-hydroxybutane-1-sulfonate (31465-25-5) → 4-hydroxy-butane-1-sulfonic acid (26978-64-3)

Guidance literature:

With sulfuric acid; In ethanol; at 50 ℃; for 3h; Temperature; Reagent/catalyst;

Reference yield:

C6H11O5S(1-)*Na(1+) → 4-hydroxy-butane-1-sulfonic acid (26978-64-3)

Guidance literature:

With hydrogenchloride; In water; at 45 ℃; for 1.5h; Time;

upstream raw materials:

homoalylic alcohol

4-Chloro-1-butanol

4-Chlorobutyl acetate

1,4-butane sultone

Downstream raw materials:

1,4-butane sultone

sulfolane

5-phenylpentane-1-sulfonic acid

N-(δ-sulfonatobutyl)-2-methyl-benzothiazole

Refernces

• 1、 -. "Synthesis method of 1,4-butane sultone". Paragraph 0010; 0030; 0033-0034; 0036; 0039-0040; 0042-0046. . Retrieved 2019/06/12.
• 2、 -. "1,4-butane sultone and synthesis process thereof". Paragraph 0049; 0061; 0072; 0083; 0094; 0101. . Retrieved 2017/07/23.