(1R,2S,5S)-methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate (2S,3S)-2,3-bis(4-methylbenzoyloxy)succinate | CAS No. 943516-64-1

(1R,2S,5S)-methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate (2S,3S)-2,3-bis(4-methylbenzoyloxy)succinate

Basic Information

CAS Number

943516-64-1

Molecular Formula

C38H44N2O12

Molecular Weight

720.77 g/mol

AD

Basic Physical Properties

CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CC1(C2C1C(NC2)C(=O)OC)C

InChI

InChI=1S/C38H44N2O12/c1-19-9-13-21(14-10-19)29(41)49-25(31(43)51-37-23(35(37,3)4)17-39-27(37)33(45)47-7)26(50-30(42)22-15-11-20(2)12-16-22)32(44)52-38-24(36(38,5)6)18-40-28(38)34(46)48-8/h9-16,23-28,39-40H,17-18H2,1-8H3/t23-,24-,25+,26+,27-,28-,37-,38-/m1/s1

InChIKey

YZFGAUDVWYMIOU-QLGHABEQSA-N

LogP

2.220040000000002

Topological Polar Surface Area

181.85999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 14

Complexity

758

Synonyms & References

English

  • (1R,2s,5s)-methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate (2s,3s)-2,3-bis(4-methylbenzoyloxy)succinate
  • (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioate,methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
  • (2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid;methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.
  • (1R,2S,5S)-Methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate (2S,3S)-2,3-bis((4-methylbenzoyl)oxy)succinate
  • AKOS037649863
  • SCHEMBL3402574
  • CS-13792
  • (2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid;methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
  • (1R,2S,5S)-methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate (2S,3S)-2,3-bis(4-methylbenzoyloxy)succinate
  • DB-234617
  • 943516-58-3
  • 943516-64-1

MDL Number

MFCD22125308

FAQ

What are the physical and chemical properties of (1R,2S,5S)-methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate (2S,3S)-2,3-bis(4-methylbenzoyloxy)succinate (CAS: 943516-64-1)?

The compound has a crystalline form and a molecular weight of approximately 408.42 g/mol. It is slightly soluble in common organic solvents such as methanol and ethanol. The compound exhibits good reactivity, particularly towards nucleophiles and bases, making it suitable for various synthetic applications.

How is (1R,2S,5S)-methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate (2S,3S)-2,3-bis(4-methylbenzoyloxy)succinate (CAS: 943516-64-1) typically synthesized?

This compound is commonly synthesized via a multi-step process involving the condensation of methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate with 2,3-bis(4-methylbenzoyloxy)succinic anhydride. The reaction is typically carried out under anhydrous conditions, often using a catalytic amount of a Lewis acid to enhance the reaction's yield and selectivity.

What industries use (1R,2S,5S)-methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate (2S,3S)-2,3-bis(4-methylbenzoyloxy)succinate (CAS: 943516-64-1)?

This compound finds applications in the pharmaceutical industry, where it serves as an intermediate in the synthesis of drugs. It is also used in the polymer industry for the development of special polymers with enhanced properties. Additionally, it can be utilized in the production of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling (1R,2S,5S)-methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate (2S,3S)-2,3-bis(4-methylbenzoyloxy)succinate (CAS: 943516-64-1)?

When handling this compound, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat to protect against skin contact and inhalation. Proper ventilation is crucial, and the compound should be handled in a fume hood. In case of a spill, neutralize the spill with an appropriate neutralizer and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.

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