• Name

  Sodium D-pantothenate

• EINECS 212-768-6
• CAS No. 867-81-2
• Article Data2
• CAS DataBase
• Density
• Solubility
• Melting Point 171-178 °C(lit.)
• Formula C₉H₁₆NNaO₅
• Boiling Point 551.5 °C at 760 mmHg
• Molecular Weight 241.22
• Flash Point 287.3 °C
• Transport Information
• Appearance white powder
• Safety 26-36-45-36/37/39-22
• Risk Codes 36/37/38-48-41-37/38-20/21/22
• Molecular Structure
• Hazard Symbols Xn, Xi
• Synonyms Sodium pantothenate;Sodium pantothenic acid;Sodium D-pantothenate;Pantothenic acid sodium salt;b-Alanine,N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, monosodium salt (9CI);b-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, monosodium salt,(R)-;Pantothenicacid, monosodium salt, D- (8CI);
• PSA 109.69000
• LogP -1.98710

Synthetic route

16690-93-0

sodium β-alaninate

599-04-2

(R)-Pantolacton

867-81-2

pantothenic acid sodium salt

Conditions

Conditions	Yield
In ethanol for 3h; Reflux;	76.3 g

867-81-2

pantothenic acid sodium salt

77-76-9

2,2-dimethoxy-propane

167308-62-5

3-{[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]carbonylamino}propionic acid

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 20℃; for 12h;	100%

616236-11-4

3,3-dimethyl-4-(tetrahydropyran-2-yloxy)butylamine

867-81-2

pantothenic acid sodium salt

616236-12-5

(2R)-N-{2-[3,3-dimethyl-4-(tetrahydropyran-2-yloxy)butylcarbamoyl]ethyl}-2,4-dihydroxy-3,3-dimethylbutyramide

Conditions

Conditions	Yield
With 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide In dichloromethane; N,N-dimethyl-formamide at 20℃;	56%

1256165-05-5

(E)-5-aminopent-2-enoate trifluoroacetate salt

867-81-2

pantothenic acid sodium salt

1245941-16-5

ethyl (R,E)-5-(3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanamido)pent-2-enoate

Conditions

Conditions	Yield
With N-ethylmorpholine;; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃;	41%

20395-57-7

[2H9]-trimethylchlorosilane

867-81-2

pantothenic acid sodium salt

tris([2H9]trimethylsilyl)-(R)-pantothenic acid

Conditions

Conditions	Yield
With 1H-imidazole In dichloromethane at 20℃; for 8h;

77377-52-7

N-methyl-N-tert-butyldimethylsilyl-1,1,1-trifluoroacetamide

867-81-2

pantothenic acid sodium salt

tris(tert-butyldimethylsilyl)pantothenic acid

Conditions

Conditions	Yield
With pyridine at 80℃; for 1h;

2942-58-7

diethyl cyanophosphonate

867-81-2

pantothenic acid sodium salt

107-11-9

1-amino-2-propene

pantothenic acid allyl amide

Conditions

Conditions	Yield
With concentrated aqueous HCl; triethylamine In water; ethyl acetate	8.03 g (75%)

...Expand

867-81-2

pantothenic acid sodium salt

79-83-4

pantothenic acid

Conditions

Conditions	Yield
With Amberlite IR-120 (H+-form) In water
With Dowex 50x8 (H+) In water

867-81-2

pantothenic acid sodium salt

amino(dethia)pantetheine acetonide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C View Scheme

867-81-2

pantothenic acid sodium salt

2-bromopropionyloxa(dethia)pantetheine acetonide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C View Scheme

867-81-2

pantothenic acid sodium salt

2-bromopropionylamino(dethia)pantetheine acetonide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C View Scheme

867-81-2

pantothenic acid sodium salt

2-sulfinatepropionyloxa(dethia)pantetheine acetonide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: sodium hydrogencarbonate; sodium dithionite / water / 0.5 h / 20 °C View Scheme

867-81-2

pantothenic acid sodium salt

2-sulfinatepropionylamino(dethia)pantetheine acetonide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: sodium hydrogencarbonate; sodium dithionite / water / 0.5 h / 20 °C View Scheme

867-81-2

pantothenic acid sodium salt

2-sulfonatepropionyloxa(dethia)pantetheine

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: sodium hydrogencarbonate; sodium dithionite / water / 0.5 h / 20 °C 5.1: oxygen / water / 18 h / 20 °C 5.2: 20 °C View Scheme

867-81-2

pantothenic acid sodium salt

2-sulfonatepropionylamino(dethia)pantetheine

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: sodium hydrogencarbonate; sodium dithionite / water / 0.5 h / 20 °C 5.1: oxygen / water / 18 h / 20 °C 5.2: 20 °C View Scheme

867-81-2

pantothenic acid sodium salt

2-nitropropionyloxa(dethia)pantetheine acetonide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: 3,5-dihydroxyphenol; potassium nitrite / N,N-dimethyl-formamide / 12 h / 20 °C View Scheme

867-81-2

pantothenic acid sodium salt

2-nitropropionylamino(dethia)pantetheine acetonide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: 3,5-dihydroxyphenol; potassium nitrite / N,N-dimethyl-formamide / 12 h / 20 °C View Scheme

867-81-2

pantothenic acid sodium salt

2-nitropropionyloxa(dethia)pantetheine

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: 3,5-dihydroxyphenol; potassium nitrite / N,N-dimethyl-formamide / 12 h / 20 °C 5.1: trifluoroacetic acid / water / 20 °C View Scheme

867-81-2

pantothenic acid sodium salt

2-nitropropionylamino(dethia)pantetheine

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: 3,5-dihydroxyphenol; potassium nitrite / N,N-dimethyl-formamide / 12 h / 20 °C 5.1: trifluoroacetic acid / water / 20 °C View Scheme

867-81-2

pantothenic acid sodium salt

C14H24N2O12PS(3-)

Conditions

Conditions

Yield

Multi-step reaction with 6 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: sodium hydrogencarbonate; sodium dithionite / water / 0.5 h / 20 °C 5.1: oxygen / water / 18 h / 20 °C 5.2: 20 °C 6.1: ATP; recombinant enzym pJLHis6T-ecCoaA; magnesium chloride; sodium chloride / aq. buffer / 2 h / 20 °C / Enzymatic reaction View Scheme

867-81-2

pantothenic acid sodium salt

2-sulfonatepropionyloxa(dethia)CoA

Conditions

Conditions

Yield

Multi-step reaction with 7 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: sodium hydrogencarbonate; sodium dithionite / water / 0.5 h / 20 °C 5.1: oxygen / water / 18 h / 20 °C 5.2: 20 °C 6.1: ATP; recombinant enzym pJLHis6T-ecCoaA; magnesium chloride; sodium chloride / aq. buffer / 2 h / 20 °C / Enzymatic reaction 7.1: recombinant enzym pJLHis6T-ecCoaD; magnesium chloride; sodium chloride / aq. buffer / 2 h / 20 °C / pH 8 / Enzymatic reaction 7.2: 3407 / 20 °C / pH 8 / Enzymatic reaction View Scheme

867-81-2

pantothenic acid sodium salt

C14H25N3O11PS(3-)

Conditions

Conditions

Yield

Multi-step reaction with 6 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: sodium hydrogencarbonate; sodium dithionite / water / 0.5 h / 20 °C 5.1: oxygen / water / 18 h / 20 °C 5.2: 20 °C 6.1: ATP; recombinant enzym pJLHis6T-ecCoaA; magnesium chloride; sodium chloride / aq. buffer / 2 h / 20 °C / Enzymatic reaction View Scheme

867-81-2

pantothenic acid sodium salt

2-sulfonatepropionylamino(dethia)CoA

Conditions

Conditions

Yield

Multi-step reaction with 7 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: sodium hydrogencarbonate; sodium dithionite / water / 0.5 h / 20 °C 5.1: oxygen / water / 18 h / 20 °C 5.2: 20 °C 6.1: ATP; recombinant enzym pJLHis6T-ecCoaA; magnesium chloride; sodium chloride / aq. buffer / 2 h / 20 °C / Enzymatic reaction 7.1: recombinant enzym pJLHis6T-ecCoaD; magnesium chloride; sodium chloride / aq. buffer / 2 h / 20 °C / pH 8 / Enzymatic reaction 7.2: 3407 / 20 °C / pH 8 / Enzymatic reaction View Scheme

867-81-2

pantothenic acid sodium salt

C14H24N3O11P(2-)

Conditions

Conditions

Yield

Multi-step reaction with 6 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: 3,5-dihydroxyphenol; potassium nitrite / N,N-dimethyl-formamide / 12 h / 20 °C 5.1: trifluoroacetic acid / water / 20 °C 6.1: ATP; recombinant enzym pJLHis6T-ecCoaA; magnesium chloride; sodium chloride / aq. buffer / 2 h / 20 °C / Enzymatic reaction View Scheme

867-81-2

pantothenic acid sodium salt

2-nitropropionyloxa(dethia)CoA

Conditions

Conditions

Yield

Multi-step reaction with 7 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: 3,5-dihydroxyphenol; potassium nitrite / N,N-dimethyl-formamide / 12 h / 20 °C 5.1: trifluoroacetic acid / water / 20 °C 6.1: ATP; recombinant enzym pJLHis6T-ecCoaA; magnesium chloride; sodium chloride / aq. buffer / 2 h / 20 °C / Enzymatic reaction 7.1: recombinant enzym pJLHis6T-ecCoaD; magnesium chloride; sodium chloride / aq. buffer / 2 h / 20 °C / pH 8 / Enzymatic reaction 7.2: 3407 / 20 °C / pH 8 / Enzymatic reaction View Scheme

867-81-2

pantothenic acid sodium salt

C14H25N4O10P(2-)

Conditions

Conditions

Yield

Multi-step reaction with 6 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: 3,5-dihydroxyphenol; potassium nitrite / N,N-dimethyl-formamide / 12 h / 20 °C 5.1: trifluoroacetic acid / water / 20 °C 6.1: ATP; recombinant enzym pJLHis6T-ecCoaA; magnesium chloride; sodium chloride / aq. buffer / 2 h / 20 °C / Enzymatic reaction View Scheme

867-81-2

pantothenic acid sodium salt

2-nitropropionylamino(dethia)CoA

Conditions

Conditions

Yield

Multi-step reaction with 7 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C 3.1: pyridine / dichloromethane / 12 h / 4 - 20 °C 4.1: 3,5-dihydroxyphenol; potassium nitrite / N,N-dimethyl-formamide / 12 h / 20 °C 5.1: trifluoroacetic acid / water / 20 °C 6.1: ATP; recombinant enzym pJLHis6T-ecCoaA; magnesium chloride; sodium chloride / aq. buffer / 2 h / 20 °C / Enzymatic reaction 7.1: recombinant enzym pJLHis6T-ecCoaD; magnesium chloride; sodium chloride / aq. buffer / 2 h / 20 °C / pH 8 / Enzymatic reaction 7.2: 3407 / 20 °C / pH 8 / Enzymatic reaction View Scheme

867-81-2

pantothenic acid sodium salt

1217509-11-9

(4R)-N-(3-[(2-hydroxyethyl)amino]-3-oxopropyl)-2,2,5,5-tetramethyl-1,3-dioxane-4-carboxamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 12 h / 20 °C 2.1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 0.25 h / 4 °C 2.2: 12 h / 20 °C View Scheme

Sodium D-Pantothenate Chemical Properties

Molecular Formula:C₉H₁₆NNaO₅
Molar mass:241.21681g/mol
Structure of Sodium D-pantothenate(867-81-2):
              
Synonyms of Sodium D-pantothenate(867-81-2):Pantothenic acid, sodium salt;Panthoject;Pantothenic acid, monosodium salt, D-;(r)-n-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine monosodium salt;beta-alanine,n-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-,monosodiumsalt,(t;heta)-;Sodium pantothenic acid;monosodiumsalt,d-pantothenicaci;N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-,monosodiumsalt,(R)-.beta.-Alanine                        
Flash Point:287.3 °C            
Boiling Point:551.5 °C at 760 mmHg        
Index of Refraction:27°(C=5, H2O)        
Vapour Pressure:1.84E-14 mmHg at 25°C  
Melting point:171-178°C(lit.)
storage temp:2-8°C

Sodium D-Pantothenate Uses

Sodium D-Pantothenate Safety Profile

Hazard Codes:Xi,Xn
Risk Statements:
20:  Harmful by inhalation
21:  Harmful in contact with skin
22:  Harmful if swallowed 
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin
41:  Risk of serious damage to eyes 
48:  Danger of serious damage to health by prolonged exposure
Safety Statements:
22:  Do not breathe dust
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
39:  Wear eye/face protection
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

Sodium D-Pantothenate Specification