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3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid calcium

Base Information Edit
  • Chemical Name:3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid calcium
  • CAS No.:137-08-6
  • Molecular Formula:C18H32CaN2O10
  • Molecular Weight:476.537
  • Hs Code.:HYSICAL AND CHEMICAL PROPERTIES PHYSICAL STATE White crystalline solid, Odorless
  • European Community (EC) Number:205-278-9
  • Mol file:137-08-6.mol
3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid calcium

Synonyms:137-08-6;3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid calcium;({3-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANAMIDO]PROPANOYL}OXY)CALCIO 3-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANAMIDO]PROPANOATE;305808-23-5;N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine calcium;SCHEMBL34429

Suppliers and Price of 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid calcium
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Usbiological
  • D-Pantothenic Acid Calcium Salt
  • 100g
  • $ 106.00
  • Usbiological
  • THETA
  • 500ul
  • $ 626.00
  • TRC
  • θ-Cypermethrin-d51-EpimericMixture
  • 5mg
  • $ 660.00
  • TRC
  • θ-Cypermethrin-d51-EpimericMixture
  • 10mg
  • $ 1250.00
  • TRC
  • PantothenicAcidHemicalciumSalt
  • 250g
  • $ 340.00
  • TRC
  • θ-Cypermethrin-d51-EpimericMixture
  • 2mg
  • $ 285.00
  • TRC
  • PantothenicAcidHemicalciumSalt
  • 100g
  • $ 215.00
  • TRC
  • PantothenicAcidHemicalciumSalt
  • 50g
  • $ 125.00
  • TRC
  • θ-Cypermethrin-d51-EpimericMixture
  • 1mg
  • $ 145.00
  • TRC
  • PantothenicAcidHemicalciumSalt
  • 25g
  • $ 70.00
Total 322 raw suppliers
Chemical Property of 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid calcium Edit
Chemical Property:
  • Appearance/Colour:white crystalline powder 
  • Melting Point:190 °C 
  • Refractive Index:27 ° (C=5, H2O) 
  • Boiling Point:551.5 °C at 760 mmHg 
  • Flash Point:287.3 °C 
  • PSA:191.72000 
  • Density:1.266 g/cm3 
  • LogP:-1.45900 
  • Storage Temp.:2-8°C 
  • Sensitive.:Hygroscopic 
  • Solubility.:H2O: 50 mg/mL at 25 °C, clear, nearly colo 
  • Water Solubility.:Soluble in water. 
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:6
  • Exact Mass:259.0732635
  • Heavy Atom Count:16
  • Complexity:239
Purity/Quality:

99%min *data from raw suppliers

D-Pantothenic Acid Calcium Salt *data from reagent suppliers

Safty Information:
  • Pictogram(s): HarmfulXn 
  • Hazard Codes:Xn 
  • Statements: 20/21/22-37/38-41-48 
  • Safety Statements: 24/25-45-36/37/39-26-22 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C)(CO)C(C(=O)NCCC(=O)O)O.[Ca]
  • Isomeric SMILES:CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O.[Ca]
  • Production method Take isobutyraldehyde as raw material; carry out hydroxymethylation, addition reaction, hydrolysis, acidification, lactonization and acylation to derive the final product. Formaldehyde and anhydrous potassium carbonate are sent into the reaction pot. At 14-20 °C, it is added dropwise of isobutyraldehyde. After the completion of the addition, incubate for stirring reaction for 3h, and then stand at 14-18 °C for 0.5 h to obtain the upper oil-2, 2-dimethyl-3-hydroxypropionaldehyde. 2, 2-dimethyl-3-hydroxypropanal is dissolved in 4 times the water while the sodium cyanide is dissolved in 6 times the water and calcium chloride dissolved in 2 times the water. The above solutions are successively added into the reaction pot. 50% sulfuric acid solution was added under stirring at 60-65 ° C for 6h; then being heated to 80-85 °C for 3h and subject to vacuum concentration to being thick. 95% ethanol was added to precipitate the inorganic salt and filtrate. After the recovery of ethanol through distillation under reduced pressure, collect the fractions of 130-145C (1.33-2.39 Kpa), namely ?-butyrolactone. Then, β-aminopropionic acid, 5/6 methanol and lime were successively added to the reactor. Raise the temperature to 40 °C, and the reaction was stirred for 2 hours. The reaction mixture was allowed to stand for while before the supernatant was filtered by filtration. The solid residue in the pot was washed with 1/6 methanol and then filtered. The filtrate is placed in another reaction pot, being added of γ-butyrolactone for stirring and dissolving in room temperature for 40 h reaction to generate calcium pantothenate. Stirring with water and cooling to-5-0 °C, and add seed crystal for stirring of 24 hours, filter to obtain the dextro calcium pantothenate. 2/3 the amount of calcium pantothenate and calcium p-pantothenate are thrown into the reaction pot; add methanol and water, heat to 40 °C for stirring dissolving and filter upon being hot. The filtrate is cooled to 15 °C, added of a small amount of calcium L-pantothenate and crystal for 2h. When the specific rotation is up to +6 °-+8 °, separate the crystal, and wash with a small amount of methanol to obtain the L-calcium p-pantothenate (still used for resolution). The remaining 1/3 racemic calcium pantothenate was dissolved in a filtrate of 35-40 ° C, filtered and cooled to 15 ° C. A small amount of calcium p-pantothenate was added and the crystals were incubated for 2 hours. Crystals were separated when the specific rotation was-0.8 °--0.6 °, washed with a small amount of methanol and dried in vacuo to give calcium dextrate. It is derived through the heating and condensation between calcium β-alanine and α-hydroxy β, β-dimethyl-γ-butyl ester.
  • Uses 1.??? It can be applied to biochemical studies; as the nutrient composition of tissue culture medium. It is clinically used for the treatment of vitamin B deficiency, peripheral neuritis and postoperative colic. 2.??? It can be used as food fortifier, also used as infant food with the usage amount of 15~28 mg/kg; it is 2~4mg/kg in the drink. 3.??? This product is a vitamin drugs, being an integral part of coenzyme A. In the mixture of calcium pantothenate, only the right-hand body has vitamin activity, participating into the in vivo metabolism of protein, fat and carbohydrate. It can be used for the treatment of vitamin B deficiency and peripheral neuritis, and postoperative colic. Its combined treatment with vitamin C can be used for the treatment of disseminated lupus erythematosus. The lack of calcium pantothenate in human body has the following symptoms: (1) growth arrest, weight loss and sudden death. (2) Skin and hair disorders. (3) Neurological disorders. (4) Digestive disorders, liver dysfunction. (5) Affect the antibody formation. (6) Kidney dysfunction. Every day the body demands 5 mg of calcium pantothenate (calculated based on pantothenic acid). Calcium pantothenate, as a nutritional supplement, can be used for the food processing. In addition to special nutritional food, the usage amount should be below 1% (calculated on calcium) (Japan). Upon the strengthening of the milk powder, the usage amount should be 10 mg/100g. Addition of 0.02% into the Shochu and whiskey can further enhance the flavor. Addition of 0.02% into the honey can prevent the winter crystallization. It can be used for buffering the bitterness of caffeine and saccharin. 4.??? It can be used as feed additives, food additives, being in line with Pharmacopoeia USP28/BP2003 5.??? It can be used as nutritional supplements, being able to enhance the flavor of shochu whiskey to prevent the crystallization of honey in winter. 6.??? It is the precursor product for the biosynthesis of coenzyme A. Because of the easy-deliquescence of pantothenic acid and other unstable properties, it is used of calcium salt as the substitute. D-(+)-Pantothenic acid calcium salt is a member of the B complex vitamins; essential vitamin for the biosynthesis of coenzyme A in mammalian cells. Occurs ubiquitously in all animal and plant tissue. The richest common source is liver, but jelly of the queen bee contains 6 times as much as liver. Rice bran and molasses are other good sources. calcium pantothenate is used as an emollient and to enrich creams and lotions in hair care preparations. This is the calcium salt of pantothenic acid found in liver, rice, bran, and molasses. It is also found in large amounts in royal jelly. Calcium Pantothenate is a nutrient and dietary supplement which is the calcium chloride double salt of . It is a white powder of bitter taste and has a solubility of 1 g in 3 ml of water. It is used in special dietary foods.
  • Therapeutic Function Vitamin
  • Clinical Use The only therapeutic indication for pantothenic acid is intreatment of a known or suspected deficiency of this vitamin.Because of the ubiquitous nature of pantothenic acid, deficiencystates of this vitamin are only seen experimentally byuse of synthetic diets devoid of the vitamin, by use of thevitamin antagonist, ω-methylpantothenic, or both. In a 1991review, Tahiliani and Beinlich described that the mostcommon symptoms associated with pantothenic acid deficiencywere headache, fatigue, and a sensation of weakness.Sleep disturbances and gastrointestinal disturbances, amongothers, were also noted. The most likely setting for pantothenicacid deficiency is in the setting of alcoholism wherea multiple vitamin deficiency exists confounding the exactrole of the pantothenic acid deficiency as compared to theother vitamins. Because a deficiency of a single B vitamin israre, pantothenic acid is commonly formulated in multivitaminor B-complex preparations.
Technology Process of 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid calcium

There total 7 articles about 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid calcium 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:
Guidance literature:
calcium beta-alaninate; In ethanol; at 75 ℃; for 6h;
D-pantolactone; In ethanol; at 75 ℃; for 16h; Temperature;

Reference yield: 90.0%

Guidance literature:
Guidance literature:
With sodium chloride; calcium oxide; Reagent/catalyst; Milling;
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