Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate} | CAS No. 6381-63-1

Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate}

Basic Information

CAS Number

6381-63-1

Molecular Formula

C18H32CaN2O10

Molecular Weight

476.5 g/mol

AD

Basic Physical Properties

Melting Point

138 °C (dec.)

CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ca+2]

InChI

InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2

InChIKey

FAPWYRCQGJNNSJ-UHFFFAOYSA-L

LogP

-3.97420

Complexity

233

Synonyms & References

English

  • Calcium Pantothenate, Racemic
  • NS00074084
  • 63409-48-3
  • Calcium pantothenate, racemic [USP]
  • Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)-propanoate
  • Calcium (R)-Pantothenate
  • CALCIUM PANTOTHENATE, (+/-)-
  • A-alanine hemicalcium salt
  • calcium 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoate
  • (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-
  • CALCIUM PANTOTHENATE,RACEMIC [VANDF]
  • (+)-Pantothenic acid calcium salt hydrate
  • DL-Pantothenic Acid Calcium Salt
  • racemiccalcium pantothenate
  • Calcium3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate
  • Calcium (1)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninate
  • CALCIUM PANTOTHENATE, RACEMIC [USP IMPURITY]
  • .BETA.-ALANINE, N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-, CALCIUM SALT (2:1), (+/-)-
  • DL-Calcium pantothenate
  • calcium;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate
  • DTXSID40890624
  • Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate
  • SCHEMBL34428
  • AKOS015915128
  • UNII-2KC899R47Q
  • CHEBI:180950
  • CALCIUM PANTOTHENATE, RACEMIC [FCC]
  • Q27254867
  • 6381-63-1
  • D03300
  • CALCIUM DL-PANTOTHENATE

MDL Number

MFCD00063189

Customs Code

2936240000

FAQ

What are the physical and chemical properties of Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate} (CAS: 6381-63-1)?

Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate} (CAS: 6381-63-1) is a white to off-white crystalline powder with a high molecular weight. It is sparingly soluble in water but soluble in organic solvents. The compound exhibits moderate reactivity, particularly towards bases, leading to hydrolysis. It has a high melting point and is stable under normal atmospheric conditions.

How is Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate} (CAS: 6381-63-1) typically synthesized?

Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate} (CAS: 6381-63-1) is synthesized through esterification followed by reaction with calcium carbonate. Key steps involve the condensation of 2,4-dihydroxy-3,3-dimethylbutanoic acid with 1,3-propanediamine, followed by reaction with calcium carbonate to form the calcium salt. The process typically yields a product with a purity of 95-98%.

What industries use Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate} (CAS: 6381-63-1)?

Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate} (CAS: 6381-63-1) is used in pharmaceuticals for its chelating properties, improving drug solubility and stability. It is also utilized in the production of polymer additives, where it enhances mechanical properties. Additionally, it can be found in sensor and semiconductor applications due to its unique chemical properties.

What precautions should be taken when handling Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate} (CAS: 6381-63-1)?

Handling Calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate} (CAS: 6381-63-1) requires appropriate personal protective equipment (PPE), including gloves and safety goggles. Store in a cool, dry place away from direct sunlight and moisture. Use in a fume hood to minimize inhalation risks. In case of spill, handle with care, and refer to the Material Safety Data Sheet (MSDS) for detailed cleanup procedures.

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