2-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-methylphenol hydrobromide (1:1) | CAS No. 837376-36-0

2-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-methylphenol hydrobromide (1:1)

Basic Information

CAS Number

837376-36-0

Molecular Formula

C22H32BrNO

Molecular Weight

406.41 g/mol

AD

Basic Physical Properties

Boiling Point

473°C at 760 mmHg

Flash Point

239.9°C

CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2.Br

InChI

InChI=1S/C22H31NO.BrH/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;/h6-12,15-17,20,24H,13-14H2,1-5H3;1H/t20-;/m1./s1

InChIKey

ZMIOHGDJVPQTCH-VEIFNGETSA-N

LogP

5.919320000000007

Topological Polar Surface Area

23.47 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

340

Synonyms & References

English

  • 837376-36-0
  • 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol;hydrobromide
  • AKOS016008269
  • 2-{(1R)-3-[Di(propan-2-yl)amino]-1-phenylpropyl}-4-methylphenol--hydrogen bromide (1/1)
  • AMY8931
  • (R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol hydrobromide
  • DTXSID30585330
  • SCHEMBL1260827
  • Tolterodine hydrobromide
  • 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol hydrobromide
  • 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol,hydrobromide
  • 2-[3-[BIS(1-METHYLETHYL)AMINO]-1-PHENYLPROPYL]-4-METHYLPHENOL HYDROBROMIDE [(±)TOLTERODINE HYDROBROMIDE]
  • 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-phenol hydrobromide
  • N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamine hydrobromide
  • N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropylamine hydrobromide
  • Tolterodinehydrobromide

MDL Number

MFCD08685922

Customs Code

2922299090

FAQ

What are the physical and chemical properties of 2-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-methylphenol hydrobromide (CAS: 837376-36-0)?

2-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-methylphenol hydrobromide (CAS: 837376-36-0) is a solid that crystallizes in the form of needles. Its molecular weight is approximately 520.62 g/mol. The compound is moderately soluble in water and ethanol. It exhibits reactivity towards basic conditions and undergoes hydrolysis. The compound is stable under normal conditions but should be stored in a dry, cool place away from moisture and heat sources.

How is 2-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-methylphenol hydrobromide (CAS: 837376-36-0) typically synthesized?

2-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-methylphenol hydrobromide (CAS: 837376-36-0) is typically synthesized via the reaction of 4-methylphenol with 3-(diisopropylamino)-1-phenylpropyl bromide in the presence of a base like sodium hydride. The yield is generally high, and the reaction is selective and efficient. The product is isolated by recrystallization or column chromatography, and further purified through spectroscopic techniques.

What industries use 2-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-methylphenol hydrobromide (CAS: 837376-36-0)?

2-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-methylphenol hydrobromide (CAS: 837376-36-0) is primarily used in the pharmaceutical industry due to its potential as a bioactive compound. It is also explored in research for its applications in sensors and semiconductors. The compound may be used in the development of new materials and in academic research for various chemical and biological studies.

What precautions should be taken when handling 2-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-methylphenol hydrobromide (CAS: 837376-36-0)?

When handling 2-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-methylphenol hydrobromide (CAS: 837376-36-0), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up immediately with appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed information on handling and emergency procedures.

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