(S)-5-(3-(tert-butylamino)-2-hydroxypropoxy)-3,4-dihydronaphthalen-1(2H)-one hydrochloride | CAS No. 27912-14-7

(S)-5-(3-(tert-butylamino)-2-hydroxypropoxy)-3,4-dihydronaphthalen-1(2H)-one hydrochloride

Basic Information

CAS Number

27912-14-7

Molecular Formula

C17H26ClNO3

Molecular Weight

327.85 g/mol

AD

Basic Physical Properties

Melting Point

209-211°

Boiling Point

464.4°Cat760mmHg

Flash Point

234.7°C

Specific Rotation

24589 -19.6±0.7° (c = 2.90 in methanol)

CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl

InChI

InChI=1S/C17H25NO3.ClH/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;1H/t12-;/m0./s1

InChIKey

DNTDOBSIBZKFCP-YDALLXLXSA-N

LogP

2.7552000000000016

Topological Polar Surface Area

58.56 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

350

Synonyms & References

English

  • (S)-5-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-1(2H)-naphthalenone monohydrochloride
  • (-)-5-(3-(tert-Butylamino)-2-hydroxypropoxy)-3,4-dihydro-1(2H)-naphthalenone hydrochloride
  • MS-24904
  • ent-Levobunolol,Hydrochloride
  • CCG-220847
  • MLS002154030
  • Betagan
  • 27912-14-7
  • CHEBI:6439
  • Vistagan
  • Tox21_110617
  • LEVOBUNOLOL HYDROCHLORIDE [VANDF]
  • Levobunolol.HCl
  • NSC-759158
  • LEVOBUNOLOL HYDROCHLORIDE [JAN]
  • (-)-3,4-Dihydro-5-(3-(tert-butylamino)-2-hydroxypropoxy)-1(2H)-naphthalenone hydrochloride
  • 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
  • (2S)-N-(tert-butyl)-2-hydroxy-3-[(5-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propan-1-aminium chloride
  • O90S49LDHH
  • (-) -Levobunolol hydrochloride
  • Levobunolol (hydrochloride)
  • Betagan (TN)
  • CS-4554
  • l-Bunolol hydrochloride
  • W 7000A
  • Gotensin
  • NCGC00016801-01
  • SMR001233357
  • SCHEMBL42262
  • DNTDOBSIBZKFCP-YDALLXLXSA-N
  • levobunolol monohydrochloride

MDL Number

MFCD03425587

FAQ

What are the physical and chemical properties of (S)-5-(3-(tert-butylamino)-2-hydroxypropoxy)-3,4-dihydronaphthalen-1(2H)-one hydrochloride (CAS: 27912-14-7)?

The compound is a white crystalline solid with a molecular weight of approximately 334.4 g/mol. It has a pKa of about 2.0 and is soluble in methanol and acetone but less so in water. It is moderately reactive towards nucleophiles and can undergo hydrolysis under basic conditions. It is stable under normal temperature and pressure conditions but should be stored in a cool, dry place away from moisture and heat.

How is (S)-5-(3-(tert-butylamino)-2-hydroxypropoxy)-3,4-dihydronaphthalen-1(2H)-one hydrochloride (CAS: 27912-14-7) typically synthesized?

The compound is typically synthesized via a multistep process involving the formation of a naphthalene derivative, introduction of the tert-butylamino group, and subsequent hydrolysis and chloride addition. This process requires careful control of pH and temperature to achieve high yields and selectivity. Commonly used reagents include tert-butylamine, sodium hydroxide, and hydrochloric acid.

What industries use (S)-5-(3-(tert-butylamino)-2-hydroxypropoxy)-3,4-dihydronaphthalen-1(2H)-one hydrochloride (CAS: 27912-14-7)?

This compound is primarily used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various drugs and APIs (active pharmaceutical ingredients). Its unique chemical structure also makes it valuable in the development of new materials for sensors and semiconductors.

What precautions should be taken when handling (S)-5-(3-(tert-butylamino)-2-hydroxypropoxy)-3,4-dihydronaphthalen-1(2H)-one hydrochloride (CAS: 27912-14-7)?

Proper personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn when handling this compound. It should be stored in a cool, dry place away from moisture and heat. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Safety data sheets (SDS) should be consulted for detailed handling guidelines and emergency procedures.

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