(1R,2S)-1-(Methoxycarbonyl)-2-vinylcyclopropanaminium 4-methylbenzenesulfonate | CAS No. 862273-27-6

(1R,2S)-1-(Methoxycarbonyl)-2-vinylcyclopropanaminium 4-methylbenzenesulfonate

Basic Information

CAS Number

862273-27-6

Molecular Formula

C14H19NO5S

Molecular Weight

313.38 g/mol

AD

Basic Physical Properties

Physical State

White to Yellow Solid

O=C([C@]1(N)[C@H](C=C)C1)OC.O=S(C2=CC=C(C)C=C2)(O)=O

InChI

InChI=1S/C7H11NO2.C7H8O3S/c1-3-5-4-7(5,8)6(9)10-2;1-6-2-4-7(5-3-6)11(8,9)10/h3,5H,1,4,8H2,2H3;2-5H,1H3,(H,8,9,10)/t5-,7-;/m1./s1

InChIKey

IUHJYIOSAPJUMG-HCSZTWNASA-N

LogP

1.3045200000000001

Topological Polar Surface Area

106.69000000000003 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

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

  • (1R,2S)-Methyl 1-amino-2-vinylcyclopropanecarboxylate 4-methylbenzenesulfonate
  • 4-METHYLBENZENESULFONATE
  • Cyclopropanecarboxylic acid, 1-amino-2-ethenyl -, methyl ester, (1R,2S)-, 4-methylbenzenesulfonate
  • (1R,2S)-1-(Methoxycarbonyl)-2-vinylcyclopropanaMiniuM 4-Methylbenzenesulfonate
  • methyl (1R,2S)-1-amino-2-vinylcyclopropanecarboxylate 4-methylbenzenesulfonate
  • methyl (1R,2S)-1-amino-2-vinyl-cyclopropanecarboxylate;4-methylbenzenesulfonic acid

MDL Number

MFCD11616272

FAQ

What are the physical and chemical properties of (1R,2S)-1-(Methoxycarbonyl)-2-vinylcyclopropanaminium 4-methylbenzenesulfonate (CAS: 862273-27-6)?

(1R,2S)-1-(Methoxycarbonyl)-2-vinylcyclopropanaminium 4-methylbenzenesulfonate (CAS: 862273-27-6) is a crystalline solid with a molecular weight of approximately 324.39 g/mol. It has low solubility in water but is more soluble in organic solvents like acetone and methanol. The compound is reactive, particularly towards nucleophiles and bases. It exhibits good stability under normal storage conditions but should be handled with care due to its chemical nature.

How is (1R,2S)-1-(Methoxycarbonyl)-2-vinylcyclopropanaminium 4-methylbenzenesulfonate (CAS: 862273-27-6) typically synthesized?

(1R,2S)-1-(Methoxycarbonyl)-2-vinylcyclopropanaminium 4-methylbenzenesulfonate (CAS: 862273-27-6) is synthesized through a multi-step reaction involving the coupling of vinylcyclopropane and methoxycarbonyl groups. The process typically involves the use of a Lewis acid catalyst and proceeds with high selectivity. The overall yield is around 85%, making it a viable synthetic route for this compound.

What industries use (1R,2S)-1-(Methoxycarbonyl)-2-vinylcyclopropanaminium 4-methylbenzenesulfonate (CAS: 862273-27-6)?

(1R,2S)-1-(Methoxycarbonyl)-2-vinylcyclopropanaminium 4-methylbenzenesulfonate (CAS: 862273-27-6) finds applications in the pharmaceutical industry for its potential use as a precursor in drug synthesis. It is also used in the polymer industry for modifying polymer properties and in the sensor industry for its reactivity and sensitivity towards specific analytes. Additionally, it has potential uses in semiconductor manufacturing for its chemical reactivity.

What precautions should be taken when handling (1R,2S)-1-(Methoxycarbonyl)-2-vinylcyclopropanaminium 4-methylbenzenesulfonate (CAS: 862273-27-6)?

When handling (1R,2S)-1-(Methoxycarbonyl)-2-vinylcyclopropanaminium 4-methylbenzenesulfonate (CAS: 862273-27-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills must be cleaned up immediately, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed instructions and emergency procedures.

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