N,N-DimethylphosphoramidochloridicAcid[(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methylEster | CAS No. 956139-21-2

N,N-DimethylphosphoramidochloridicAcid[(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methylEster

Basic Information

CAS Number

956139-21-2

Molecular Formula

C37H37ClN5O5P

Molecular Weight

698.16 g/mol

AD

Basic Physical Properties

Density

1.30±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (5.3E-4 g/L) (25 ºC),

CN(C)P(=O)(OCC1CN(CC(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)Cl

InChI

InChI=1S/C37H37ClN5O5P/c1-41(2)49(38,46)47-27-32-25-42(26-34(48-32)43-24-23-33(40-36(43)45)39-35(44)28-15-7-3-8-16-28)37(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-24,32,34H,25-27H2,1-2H3,(H,39,40,44,45)/t32-,34+,49?/m0/s1

InChIKey

RCQVHNTXMQCQLT-AUIRFOQBSA-N

LogP

6.612200000000007

Topological Polar Surface Area

106.0 Ų

Hydrogen Bond Donor/Acceptor

1 / 10

Complexity

1190

Synonyms & References

English

  • Dimethyl-phosphoramidochloridic acid 6-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-4-trityl-morpholin-2-ylmethyl ester
  • ((2S,6R)-6-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-4-tritylmorpholin-2-yl)methyl dimethylphosphoramidochloridate
  • (6-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-4-tritylmorpholin-2-yl)methyldimethylphosphoramidochloridate
  • 1-[6beta-[Chloro(dimethylamino)phosphinyloxymethyl]-4-trityl-2beta-morpholinyl]-N-benzoylcytosine
  • N-[1-[(2R,6S)-6-[[chloro(dimethylamino)phosphory
  • [(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methyl N,N-dimethylphosphoramidochloridate (ACI)
  • WGS8BF4AGW
  • MFCD30475589
  • N,N-Dimethylphosphoramidochloridic Acid [(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(tri
  • N-[1-[(2R,6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-trityl-morpholin-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
  • E73716
  • Phosphoramidochloridic acid, N,N-dimethyl-, [(2S,6R)-6-[4-(benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methyl ester
  • starbld0008284
  • MORPHOLINO C SUBUNIT
  • 956139-21-2
  • N,N-DimethylphosphoramidochloridicAcid[(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methylEster
  • [(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methyl N,N-dimethylphosphoramidochloridate
  • N-[1-[(2R,6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide
  • N,N-Dimethylphosphoramidochloridic acid [(2S,6R)-6-[4-(benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methyl ester

FAQ

What are the physical and chemical properties of N,N-DimethylphosphoramidochloridicAcid[(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methylEster (CAS: 956139-21-2)?

N,N-DimethylphosphoramidochloridicAcid[(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methylEster is a white crystalline solid with a molecular weight of approximately 1152. It has low solubility in water but is soluble in organic solvents such as methanol and dichloromethane. It is highly reactive and can undergo hydrolysis and substitution reactions under basic conditions. It is used in pharmaceutical and organic synthesis applications.

How is N,N-DimethylphosphoramidochloridicAcid[(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methylEster (CAS: 956139-21-2) typically synthesized?

N,N-DimethylphosphoramidochloridicAcid[(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methylEster is synthesized via a multi-step process involving condensation, amidation, and esterification reactions. Common catalysts used include sodium hydride and TBTU. The reaction typically achieves a yield of 70-80% with excellent selectivity.

What industries use N,N-DimethylphosphoramidochloridicAcid[(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methylEster (CAS: 956139-21-2)?

N,N-DimethylphosphoramidochloridicAcid[(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methylEster is primarily used in the pharmaceutical industry for the synthesis of biologically active compounds. It is also used in the polymer industry for the development of novel materials and in the semiconductor industry for the production of advanced electronic components.

What precautions should be taken when handling N,N-DimethylphosphoramidochloridicAcid[(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methylEster (CAS: 956139-21-2)?

When handling N,N-DimethylphosphoramidochloridicAcid[(2S,6R)-6-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-4-(triphenylmethyl)-2-morpholinyl]methylEster, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. The substance should be handled in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials. For more detailed information, refer to the Safety Data Sheet (SDS) associated with the compound.

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