N-Cyclohexylcyclohexanamine - 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) | CAS No. 18656-96-7

N-Cyclohexylcyclohexanamine - 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1)

Basic Information

CAS Number

18656-96-7

Molecular Formula

C26H36BrClN2O7

Molecular Weight

521.79 g/mol

EINECS

239-603-0

AD

Basic Physical Properties

Melting Point

249 °C

Boiling Point

742°C at 760 mmHg

Flash Point

399.3°C

[O-]C(=O)[C@H]1O[C@@H](Oc2c[nH]c3c2c(Cl)c(cc3)Br)[C@@H]([C@H]([C@@H]1O)O)O.[NH3+]C1CCCCC1

InChI

InChI=1S/C14H13BrClNO7.C12H23N/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-3,9-12,14,17-20H,(H,21,22);11-13H,1-10H2/t9-,10-,11+,12-,14+;/m0./s1

InChIKey

GKUBHKZCDXMPME-CYRSAHDMSA-N

LogP

0.08110

Synonyms & References

English

  • GLUC(X-)
  • 5-BROMO-3-INDOLYL-B-D-GLUCURONIDECYCLOHE XYLAMMONIU
  • NALGENE CENTRIFUGE BOTTLE STYLE 3122, 29 0 ML
  • X-Gluc(5-Bromo-4-Chloro-3-Indoyly--D-GlucuronicAcidCyclohexylammoniumSalt)
  • X-GLUC
  • X-GLU
  • X-BETA-D-GLC
  • X-BETA-D-GLUCOSIDE
  • 5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt hydrate
  • X-beta-D-glucuronide cyclohexylammonium salt
  • 5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide monocyclohexylamine salt
  • 5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt
  • X-GLU.MCHA
  • 5-Bromo-4-chloro-3-indolyl-?-D-glucuronic acid cyclohexylammonium salt
  • 5-Bromo-4-chloro-3-indolyl-?-D-glucuronic acid cyc
  • 5-Bromo-4-chloro-3-indolyl-?-D-glucuronide
  • 5-bromo-4-chloro-3-indolyl-beta-d -glucuronide cyclohexylammonium salt 95+
  • 5-Bromo-4-chloro-3-indoxyl-beta-D-glucuronic acidcyclohexylammonium salt
  • 5-bromo-4-chloro-3-indolyl-beta-D-glucuronic acid cyclohexylammonium salt
  • 5-Bromo-4-chloro-3-indolyl-b-D-glucuronide Cyclohexylammonium Salt
  • 5-BROMO-3-INDOLYL B-D-GLUCURONIDE CYCLOHEXYLAMMONIUM SALT
  • 5-Bromo-4-chloro-3-indolyl-β-D-glucuronide cyclohexylamine salt
  • 5-Bromo-4-chloro-3-indolyl-β-D-glucuronide cyclohexylammonium salt
  • X-GlcA
  • 5-Bromo-3-indolyl-beta-D-glucuronide cyclohexylammonium salt
  • 5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide cyclohexylamine salt
  • 5-bromo-4-chloro-3-indolyl-D-glucuronide cyclohexylamine
  • NALGENE CENTRIFUGE BOTTLE STYLE 3122,29 0 ML
  • X-Glucosid
  • x-beta-d-glc
  • x-beta-d-glucoside

MDL Number

MFCD28016036

EC Number

239-603-0

Customs Code

29400090

FAQ

What are the physical and chemical properties of N-Cyclohexylcyclohexanamine - 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 18656-96-7)?

N-Cyclohexylcyclohexanamine - 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 18656-96-7) is a crystalline compound with a molecular weight of approximately 620.4 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetonitrile. The compound exhibits high reactivity towards nucleophilic substitution and conjugate addition reactions. It is stable under normal conditions but requires storage in a cool, dry place away from direct sunlight and heat sources.

How is N-Cyclohexylcyclohexanamine - 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 18656-96-7) typically synthesized?

N-Cyclohexylcyclohexanamine - 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) is synthesized through a multi-step process involving the coupling of indol-3-yl beta-D-glucopyranosiduronic acid with N-cyclohexylcyclohexanamine and subsequent bromination and chlorination reactions. The synthesis typically requires the use of catalysts such as aluminum chloride and phosphorus pentoxide, and the process yields up to 85% of the desired compound under optimized conditions.

What industries use N-Cyclohexylcyclohexanamine - 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 18656-96-7)?

N-Cyclohexylcyclohexanamine - 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 18656-96-7) is used in the pharmaceutical industry for the development of new drugs and in the production of certain chemical intermediates. It is also utilized in the research of organic synthesis and as an analytical reagent in certain laboratories.

What precautions should be taken when handling N-Cyclohexylcyclohexanamine - 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 18656-96-7)?

When handling N-Cyclohexylcyclohexanamine - 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 18656-96-7), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood due to its potential for inhalation hazards. Spills should be cleaned up immediately using appropriate absorbents and the area should be thoroughly rinsed. Refer to the material safety data sheet (MSDS) for detailed safety information and emergency response procedures.

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