(S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine (S)-2-acetamido-4-methylpentanoate | CAS No. 608141-43-1

(S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine (S)-2-acetamido-4-methylpentanoate

Basic Information

CAS Number

608141-43-1

Molecular Formula

C20H34N2O7S

Molecular Weight

446.57 g/mol

AD

Basic Physical Properties

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N)OC.CC(C)CC(C(=O)O)NC(=O)C

InChI

InChI=1S/C12H19NO4S.C8H15NO3/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15;1-5(2)4-7(8(11)12)9-6(3)10/h5-7,10H,4,8,13H2,1-3H3;5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t10-;7-/m10/s1

InChIKey

KJZXYHPZWRDLAR-JIJBYVMQSA-N

LogP

1.7601

Topological Polar Surface Area

145.01999999999998 Ų

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

516

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethylamine N-acetyl-L-leucine salt
  • (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine (S)-2-acetamido-4-methylpentanoate
  • (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methanesulfonyl)ethylamine N-acetyl-L-leucine salt
  • (S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine N-acetyl-L-leucinate
  • N-Acetyl-L-leucine compound with (alphaS)-3-ethoxy-4-methoxy-alpha-[(methylsulfonyl)methyl]benzenemethanamine
  • (S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethan-1-amine
  • acetyl-L-leucine (1:1)
  • 608141-43-1
  • AKOS027338568
  • DB-322096
  • (S)-2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulphonyl)eth-2-ylamine-N-acetyl-L-leucine salt
  • C20H34N2O7S
  • (S)-2-(3-ethoxy4-methoxyphenyl)-1-(methylsulphonyl)-eth-2-ylamine-N-acetyl-L-leucine salt
  • (S)-2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulphonyl)-eth-2-ylamine -N-acetyl-L-leucine salt
  • (s)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl amine n-acetyl-l-leucine
  • (S)-2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulphonyl)-eth-2-ylamine N-acetyl-L-leucine salt
  • (S)-2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulphonyl)-eth-2-ylamine-N-acetyl-L-leucine salt
  • SCHEMBL302605
  • AC-30406
  • KJZXYHPZWRDLAR-JIJBYVMQSA-N
  • (s)-2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulphonyl)eth-2-yl amine n-acetyl-l-leucine salt
  • (2S)-2-acetamido-4-methylpentanoic acid;(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
  • (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethanamine; N-acetyl-leu
  • CS-M2810
  • (s)-2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulphonyl)-eth-2-yl amine n-acetyl-l-leucine salt
  • DS-12206
  • A854759
  • (s)-2-(3-ethoxy -4-methoxyphenyl)-1-(methylsulphonyl)eth-2-yl amine n-acetyl-l-leucine salt
  • (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine(S)-2-acetamido-4-methylpentanoate
  • (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonyl-ethylamine n-acetyl-l-leucine salt

MDL Number

MFCD28167941

FAQ

What are the physical and chemical properties of (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine (CAS: 608141-43-1)?

(S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine (CAS: 608141-43-1) is a crystalline compound with a molecular weight of approximately 326.45 g/mol. It has a high solubility in organic solvents such as chloroform and acetone but is slightly soluble in water. This compound is reactive, particularly towards nucleophiles and electrophiles, making it useful in various organic transformations.

How is (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine (CAS: 608141-43-1) typically synthesized?

(S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine (CAS: 608141-43-1) can be synthesized via a multi-step approach involving the protection of a phenolic hydroxyl group, subsequent amidation, and desilylation. This process typically yields a product with good selectivity and high yield. Commonly, triphenylphosphine and triethylamine are used as catalysts in the amidation step.

What industries use (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine (CAS: 608141-43-1)?

(S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine (CAS: 608141-43-1) is primarily used in the pharmaceutical industry for the development of novel drug candidates. It also finds applications in the synthesis of polymers and as a precursor in the production of certain electronic materials. This compound's unique structure makes it a valuable intermediate in various chemical processes.

What precautions should be taken when handling (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine (CAS: 608141-43-1)?

When handling (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine (CAS: 608141-43-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. This compound should be stored in a cool, dry place, away from direct sunlight. Spills should be handled with care, and the area should be thoroughly cleaned with water. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.

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