Ethyl (3R,4R,5S)-4-[acetyl(2-methyl-2-propanyl)amino]-5-(diallylamino)-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate | CAS No. 651324-07-1

Ethyl (3R,4R,5S)-4-[acetyl(2-methyl-2-propanyl)amino]-5-(diallylamino)-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate

Basic Information

CAS Number

651324-07-1

Molecular Formula

C26H44N2O4

Molecular Weight

448.65 g/mol

AD

Basic Physical Properties

Melting Point

NA

Boiling Point

534.9±50.0 °C at 760 mmHg

Density

1.0±0.1 g/cm3

Vapor Pressure

0.0±1.4 mmHg at 25°C

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1N(C(=O)C)C(C)(C)C)N(CC=C)CC=C)C(=O)OCC

InChI

InChI=1S/C26H44N2O4/c1-10-15-27(16-11-2)22-17-20(25(30)31-14-5)18-23(32-21(12-3)13-4)24(22)28(19(6)29)26(7,8)9/h10-11,18,21-24H,1-2,12-17H2,3-9H3/t22-,23+,24+/m0/s1

InChIKey

IFQIYQMUGWXRFJ-RBZQAINGSA-N

LogP

4.511600000000004

Topological Polar Surface Area

59.08 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

666

Synonyms & References

English

  • Ethyl (3R,4R,5S)-4-N-Acetyl(1,1-dimethylethyl)amino-5-N,N-diallylamino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate
  • Oseltamivir Impurity 23
  • (3R,4r,5s)-ethyl 4-(n-(tert-butyl)acetamido)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate
  • ethyl (3R,4R,5S)-4-[acetyl(tert-butyl)amino]-5-[bis(prop-2-enyl)amino]-3-pentan-3-yloxycyclohexene-1-carboxylate

FAQ

What are the physical and chemical properties of Ethyl (3R,4R,5S)-4-[acetyl(2-methyl-2-propanyl)amino]-5-(diallylamino)-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 651324-07-1)?

Ethyl (3R,4R,5S)-4-[acetyl(2-methyl-2-propanyl)amino]-5-(diallylamino)-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 651324-07-1) is a crystalline compound with a molecular weight of approximately 426.5 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly towards nucleophiles and electrophiles, making it useful in organic synthesis and pharmaceutical applications.

How is Ethyl (3R,4R,5S)-4-[acetyl(2-methyl-2-propanyl)amino]-5-(diallylamino)-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 651324-07-1) typically synthesized?

Ethyl (3R,4R,5S)-4-[acetyl(2-methyl-2-propanyl)amino]-5-(diallylamino)-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 651324-07-1) is typically synthesized via multistep organic synthesis involving reactions such as alkylation, condensation, and amide formation. The synthesis often requires the use of mild acid catalysts and protective group strategies to achieve high yields and selectivity.

What industries use Ethyl (3R,4R,5S)-4-[acetyl(2-methyl-2-propanyl)amino]-5-(diallylamino)-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 651324-07-1)?

Ethyl (3R,4R,5S)-4-[acetyl(2-methyl-2-propanyl)amino]-5-(diallylamino)-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 651324-07-1) is used in the pharmaceutical industry for the development of novel drugs and in the polymer industry for creating new types of polymers with specific properties. It also finds applications in the sensor and semiconductor industries due to its unique chemical structure.

What precautions should be taken when handling Ethyl (3R,4R,5S)-4-[acetyl(2-methyl-2-propanyl)amino]-5-(diallylamino)-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 651324-07-1)?

When handling Ethyl (3R,4R,5S)-4-[acetyl(2-methyl-2-propanyl)amino]-5-(diallylamino)-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 651324-07-1), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up immediately using appropriate absorbent materials, and the material safety data sheet (MSDS) should be consulted for specific disposal and cleanup procedures.

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