{[3-(Hexadecyloxy)propoxy](hydroxy)phosphoryl}methyl 4-methylbenzenesulfonate | CAS No. 864068-45-1

{[3-(Hexadecyloxy)propoxy](hydroxy)phosphoryl}methyl 4-methylbenzenesulfonate

Basic Information

CAS Number

864068-45-1

Molecular Formula

C27H49O7PS

Molecular Weight

548.72 g/mol

AD

Basic Physical Properties

O=P(OCCCOCCCCCCCCCCCCCCCC)(O)COS(=O)(=O)c1ccc(cc1)C

InChI

InChI=1S/C27H49O7PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-32-23-17-24-33-35(28,29)25-34-36(30,31)27-20-18-26(2)19-21-27/h18-21H,3-17,22-25H2,1-2H3,(H,28,29)

InChIKey

FVSLZCGRQJPZGG-UHFFFAOYSA-N

LogP

7.74782000000001

Topological Polar Surface Area

99.13 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

658

Synonyms & References

English

  • ((3-(十六烷氧基)丙氧基)(羟基)磷酰基)甲基4-甲基苯磺酸酯
  • Phosphonic acid, P-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, mono[3-(hexadecyloxy)propyl] ester
  • ((3-(Hexadecyloxy)propoxy)(hydroxy)phosphoryl)methyl 4-methylbenzenesulfonate
  • 3-hexadecoxypropoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic Acid
  • C12707
  • (Tosyloxymethyl)phosphonic acid [3-(hexadecyloxy)propyl] ester
  • ((3-(Hexadecyloxy)propoxy)(hydroxy)phosphoryl)methyl4-methylbenzenesulfonate

MDL Number

MFCD28347511

FAQ

What are the physical and chemical properties of [3-(Hexadecyloxy)propoxy](hydroxy)phosphoryl}methyl 4-methylbenzenesulfonate (CAS: 864068-45-1)?

This compound is a complex organic phosphorus compound. It exists as a solid in a crystalline form. The molecular weight is approximately 700 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles, making it useful in certain organic synthesis reactions.

How is [3-(Hexadecyloxy)propoxy](hydroxy)phosphoryl}methyl 4-methylbenzenesulfonate (CAS: 864068-45-1) typically synthesized?

This compound can be synthesized through a multi-step process involving esterification and phosphorylation reactions. The synthesis typically requires the use of a catalyst such as pyridine to improve selectivity and yield. The final product is obtained with good purity, and the process is optimized for yield and safety.

What industries use [3-(Hexadecyloxy)propoxy](hydroxy)phosphoryl}methyl 4-methylbenzenesulfonate (CAS: 864068-45-1)?

This compound finds applications in the pharmaceutical industry for its potential use as a precursor in the synthesis of bioactive molecules. It is also used in the polymer industry for modification of polymer surfaces. Its reactivity makes it valuable in the semiconductor industry for application in organic electronic devices and sensors.

What precautions should be taken when handling [3-(Hexadecyloxy)propoxy](hydroxy)phosphoryl}methyl 4-methylbenzenesulfonate (CAS: 864068-45-1)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn when handling this compound. It should be stored in a fume hood to avoid inhalation risk. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.

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