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Home > Encyclopedia > Sodium HEPES

Sodium HEPES

pharmaceutical raw materials
Sodium HEPES structure

Sodium HEPES 

structure
  • CAS No:

    75277-39-3

  • Formula:

    C8H18N2O4S.Na

  • Chemical Name:

    Sodium HEPES

  • Synonyms:

    1-Piperazineethanesulfonic acid,4-(2-hydroxyethyl)-,sodium salt (1:1);1-Piperazineethanesulfonic acid,4-(2-hydroxyethyl)-,monosodium salt;Sodium HEPES;HEPES sodium salt;WAS-14;4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid sodium salt;1159813-57-6

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

white powder


Sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate is an organic sodium salt, a N-(2-hydroxyethyl)piperazine and a N-(sulfoalkyl)piperazine. It contains a 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate.

Sodium HEPES Basic Attributes

260.28600

260.08100

278-169-7

Z9FTO91O8A

DTXSID4044458

29335995

Characteristics

92.29000

-0.90190

White powder

234ºC

H2O: 1 M at 20 °C, clear, colorless

Store at RT.

Safety Information

NONH for all modes of transport

3

S24/25

Stable. Hygroscopic - protect from moisture. Incompatible with strong oxidizing agents.

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

Not Classified| |Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Sodium HEPES Use and Manufacturing

Methods of Manufacturing

A magnetically-stirred 70-mL fluoropolymer-lined steel autoclave was fitted with an internal thermocouple capable of determining the temperature of the liquid phase contained in the vessel, a pressure gauge, a pressure-relief valve, and a vent valve. The amine starting material, anhydrous or aqueous sodium 2-hydroxyethanesulfonate, and anhydrous or aqueous sodium hydroxide were charged to the open autoclave, which was then assembled and immersed in an electrically heated oil bath. With the vent valve closed, the stirred reaction mixture was rapidly heated to the reaction temperature and held at that temperature for the times specified in Examples 9, 10, and 13 below. The reaction mixture was then cooled to ambient temperature, the reactor opened, and the reaction product taken up in sufficient water to dissolve all solids.An electrically-heated, mechanically stirred 1 liter autoclave was fitted with an vent valve connected in turn to a condenser and receiver assembly, a bottom valve, a thermowell, a pressure gauge, an inlet line for feeding of reagents, and a pressure-relief valve. The receiver was placed on a balance to facilitate continuous determination of the amount of distillate collected in the receiver. The amine starting material, aqueous sodium 2-hydroxyethanesulfonate, and aqueous 50 percent sodium hydroxide were charged to the autoclave. With the isolation valve open, the reaction mixture was rapidly heated with stirring until condensate was detected in the condenser/receiver. The mixture was further heated with continuous removal of water until the targeted amount of distillate had been removed. An analysis of the collected aqueous distillate was performed by UV spectroscopy to determine the amount of amine which co-distilled with the water. The isolation valve was then closed and the reaction mixture further heated to a target temperature in the range of 140-200° C. for 2-17 hours as specified in Examples 1-8. The reaction mixture was then cooled until the pressure dropped to 0 psig (ca. 110° C.) whereupon dilution water was added to dilute the concentrated reaction product. The resulting solution was then cooled to room temperature and drained from the reactor. Analysis of the product mixture was then performed by various chromatographic and spectroscopic procedures as indicated in the specific examples.; Procedure C A magnetically-stirred 70-mL fluoropolymer-lined steel autoclave was fitted with an internal thermocouple capable of determining the temperature of the liquid phase contained in the vessel, a pressure gauge, a pressure-relief valve, and a vent valve. The amine starting material, anhydrous or aqueous sodium 2-hydroxyethanesulfonate, and anhydrous or aqueous sodium hydroxide were charged to the open autoclave, which was then assembled and immersed in an electrically heated oil bath. With the vent valve closed, the stirred reaction mixture was rapidly heated to the reaction temperature and held at that temperature for the times specified in Examples 9, 10, and 13 below. The reaction mixture was then cooled to ambient temperature, the reactor opened, and the reaction product taken up in sufficient water to dissolve all solids.A magnetically-stirred 70-mL fluoropolymer-lined steel autoclave was fitted with an internal thermocouple capable of determining the temperature of the liquid phase contained in the vessel, a pressure gauge, a pressure-relief valve, and a vent valve. The amine starting material, anhydrous or aqueous sodium 2-hydroxyethanesulfonate, and anhydrous or aqueous sodium hydroxide were charged to the open autoclave, which was then assembled and immersed in an electrically heated oil bath. With the vent valve closed, the stirred reaction mixture was rapidly heated to the reaction temperature and held at that temperature for the times specified in Examples 9, 10, and 13 below. The reaction mixture was then cooled to ambient temperature, the reactor opened, and the reaction product taken up in sufficient water to dissolve all solids.

Uses

Laboratory chemicals

Wholesale and retail trade|1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)-, sodium salt (1:1): ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:260.29
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:260.08067248
Monoisotopic Mass:260.08067248
Topological Polar Surface Area:92.3
Heavy Atom Count:16
Complexity:272
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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