(3R)-1-azabicyclo[2.2.2]octan-3-yl (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, butanedioic acid | CAS No. 862207-70-3

(3R)-1-azabicyclo[2.2.2]octan-3-yl (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, butanedioic acid

Basic Information

CAS Number

862207-70-3

Molecular Formula

C27H32N2O6

Molecular Weight

480.56 g/mol

AD

Basic Physical Properties

OC(=O)CCC(=O)O.O=C(O[C@H]1CN2CC[C@H]1CC2)N3CCc4ccccc4[C@H]3c5ccccc5

InChI

InChI=1S/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21-,22+;/m0./s1

InChIKey

RXZMMZZRUPYENV-UMIAIAFLSA-N

LogP

3.8007000000000017

Topological Polar Surface Area

107.37999999999998 Ų

Hydrogen Bond Donor/Acceptor

2 / 8

Synonyms & References

English

  • (R,R)-Solifenacin Succinate
  • (3R)-1-azabicyclo[2.2.2]oct-3-yl (1R)-3,4-dihydro-1-phenyl-2(1H)-isoquinoline carboxylate succinate
  • (R,R)-Solifenacin Su
  • (1S,3R,4S)-Quinuclidin-3-yl (R)-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
  • succinate (1:1)

MDL Number

MFCD24386524

FAQ

What are the physical and chemical properties of (3R)-1-azabicyclo[2.2.2]octan-3-yl (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, butanedioic acid (CAS: 862207-70-3)?

The compound has a crystalline form and a molecular weight of approximately 567.5 g/mol. It is slightly soluble in water and has good solubility in organic solvents. Chemically, it is stable under normal conditions but can react with strong bases and acids. It is not flammable and has a low reactivity towards common reagents.

How is (3R)-1-azabicyclo[2.2.2]octan-3-yl (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, butanedioic acid (CAS: 862207-70-3) typically synthesized?

This compound is typically synthesized via a multi-step process involving the use of protecting groups, coupling reactions, and acid/base catalysis. The synthesis involves the formation of a protected azabicyclic intermediate, followed by coupling with the tetrahydroisoquinoline-2-carboxylate, and finally, deprotection to yield the target compound. The overall yield is moderate, around 50-70% depending on the specific reaction conditions.

What industries use (3R)-1-azabicyclo[2.2.2]octan-3-yl (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, butanedioic acid (CAS: 862207-70-3)?

This compound is primarily used in the pharmaceutical industry for drug development, particularly in the synthesis of novel therapeutic agents. It may also find applications in the polymer industry for the development of advanced materials. Due to its structural complexity, it is less commonly used in other industries such as sensors or semiconductors.

What precautions should be taken when handling (3R)-1-azabicyclo[2.2.2]octan-3-yl (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate, butanedioic acid (CAS: 862207-70-3)?

Proper personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to vapors. Spills should be cleaned up using appropriate absorbent materials and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

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