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867-81-2

Basic Information
CAS No.: 867-81-2
Name: Sodium D-pantothenate
Article Data: 2
Molecular Structure:
Molecular Structure of 867-81-2 (Sodium D-pantothenate)
Formula: C9H16NNaO5
Molecular Weight: 241.22
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);
EINECS: 212-768-6
Melting Point: 171-178 °C(lit.)
Boiling Point: 551.5 °C at 760 mmHg
Flash Point: 287.3 °C
Appearance: white powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 36/37/38-48-41-37/38-20/21/22
Safety: 26-36-45-36/37/39-22
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With concentrated aqueous HCl; triethylamine In water; ethyl acetate8.03 g (75%)
867-81-2

pantothenic acid sodium salt

79-83-4

pantothenic acid

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
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Chemistry

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

Uses

Sodium D-pantothenate(867-81-2) can be used for the pharmaceutical industry.

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)

Specification

Product Categories of Sodium D-pantothenate(867-81-2):Vitamins and derivatives;Biochemistry;Vitamins