N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine | CAS No. 103687-96-3

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

Basic Information

CAS Number

103687-96-3

Molecular Formula

C17H19NO5S

Molecular Weight

349.41 g/mol

AD

Basic Physical Properties

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)C2=CC=CC=C2OC

InChI

InChI=1S/C17H19NO5S/c1-13-7-9-14(10-8-13)24(21,22)18(12-11-17(19)20)15-5-3-4-6-16(15)23-2/h3-10H,11-12H2,1-2H3,(H,19,20)

InChIKey

XZYYVHDMFBYFOS-UHFFFAOYSA-N

LogP

2.6736200000000006

Topological Polar Surface Area

83.91 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

508

Synonyms & References

English

  • DTXSID00544151
  • 103687-96-3
  • AKOS001320761
  • 3-(N-(2-Methoxyphenyl)-4-methylphenylsulfonamido)propanoicacid
  • 3-{(2-methoxyphenyl)[(4-methylphenyl)sulfonyl]amino}propanoic acid
  • 3-[N-(2-methoxyphenyl)(4-methylbenzene)sulfonamido]propanoic acid
  • N-(2-Methoxyphenyl)-N-(4-methylbenzene-1-sulfonyl)-beta-alanine
  • 3-(N-(2-Methoxyphenyl)-4-methylphenylsulfonamido)propanoic acid
  • EN300-24774
  • 3-[N-(2-methoxyphenyl)4-methylbenzenesulfonamido]propanoic acid
  • 3-[N-(2-methoxyphenyl)-4-methylbenzenesulfonamido]propanoic acid
  • 3-{(2-METHOXYPHENYL)[(4-METHYLPHENYL)SULFONYL]AMINO}PROPANOICACID
  • CS-0242344
  • 3-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid
  • 3-{(2-METHOXYPHENYL)[(4-METHYLPHENYL)SULFONYL]AMINO}PROPANOIC ACID
  • b-Alanine,N-(2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-

MDL Number

MFCD00667672

FAQ

What are the physical and chemical properties of N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine (CAS: 103687-96-3)?

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine (CAS: 103687-96-3) is a crystalline compound with a molecular weight of approximately 341.43 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and acetonitrile. The compound is moderately reactive, showing some tendency towards hydrolysis under basic conditions. It is stable under normal storage conditions but should be protected from strong oxidizing agents.

How is N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine (CAS: 103687-96-3) typically synthesized?

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine (CAS: 103687-96-3) is typically synthesized using a multi-step process involving the coupling of beta-alanine with 4-methylbenzenesulfonyl chloride and 2-methoxybenzaldehyde. The reaction involves小心选择合适的催化剂以提高产率和选择性。常用的催化剂包括三氯化铁或三氟甲磺酸三苯基鏻。

What industries use N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine (CAS: 103687-96-3)?

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine (CAS: 103687-96-3) is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules. It also finds applications in the polymer industry, where it can serve as an intermediate for the production of functional polymers. Additionally, it is used in the development of sensors and semiconductors for its unique chemical properties.

What precautions should be taken when handling N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine (CAS: 103687-96-3)?

When handling N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine (CAS: 103687-96-3), it is important to use personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry place away from strong oxidizing agents and moisture. In case of a spill, it should be handled according to the Material Safety Data Sheet (MSDS) guidelines. Proper ventilation is essential during handling, and the use of a fume hood is recommended.

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