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Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- | CAS No. 119520-06-8

Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel-

Basic Information

Chemical_Structure_Of
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CAS Number

119520-06-8

Molecular Formula

C14H20ClN3O2

Molecular Weight

297.78 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)NC1CCN2C3=C(C1O)C=CC=C3NC2=O.Cl

InChI

InChI=1S/C14H19N3O2.ClH/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19;/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19);1H/t11-,13-;/m1./s1

InChIKey

GIEFXLLRTJNFGT-LOCPCMAASA-N

LogP

2.73850

Complexity

361

Synonyms & References

English

  • Zilpaterol hydrochloride
  • trans-(+)-Zilpaterol (hydrochloride)
  • 1117752-22-3
  • (9R,10R)-9-hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;hydrochloride
  • ZILPATEROL HYDROCHLORIDE [MART.]
  • F94045
  • (6R,7R)-6-hydroxy-7-(isopropylamino)-6,7,8,9-tetrahydro-2,9a-diazabenzo[cd]azulen-1(2H)-one hydrochloride
  • Rac-(6R,7R)-7-hydroxy-6-(isopropylamino)-4,5,6,7-tetrahydroimidazo(4,5,1-jk)(1)benzazepin-2(1h)-one hydrochloride
  • trans-4,5,6,7-Tetrahydro-7-hydroxy-6-(isopropylamino)imidazo[4,5,1-jk]-[1]benzazepin-2(1H)-one hydrochloride
  • Q27277408
  • A903870
  • Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, (Hydrochloride) (1:1), (6R,7R)-
  • ZILPATEROL HYDROCHLORIDE [GREEN BOOK]
  • Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, monohydrochloride, (6R,7R)-rel- (9CI); Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, monohydrochloride, trans-; Zilmax; Zilpaterol hydrochloride; trans-(+/-)-Zilpaterol hydrochloride
  • Imidazo(4,5,1-jk)(1)benzazepin-2(1h)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-((1-methylethyl)amino)-, monohydrochloride
  • 1044281-58-4
  • Zilpaterol HCl
  • MFCD09033213
  • Zilpaterol hydrochloride (relstereo)
  • ZILPATEROL HYDROCHLORIDE (MART.)
  • AKOS015967220
  • (9R,10R)-9-hydroxy-10-[(propan-2-yl)amino]-1,3-diazatricyclo[6.4.1.0?,??]trideca-4,6,8(13)-trien-2-one hydrochloride
  • UNII-EX8IEP25JU
  • 119520-06-8
  • SCHEMBL135498
  • J-501696
  • EX8IEP25JU
  • ZILPATEROL HYDROCHLORIDE [MI]
  • CHEMBL513390
  • AMY23433
  • 9-Hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;hydrochloride

MDL Number

MFCD09033213

FAQ

What are the physical and chemical properties of Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- (CAS: 119520-06-8)?
Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- (CAS: 119520-06-8) is a white to off-white crystalline solid with a molecular weight of approximately 377.8 g/mol. It has a pKa of about 8.5 and good solubility in water and organic solvents like methanol and dimethylformamide. Reactivity is moderate, with typical hydrolysis and nucleophilic substitution reactions. The compound is stable under normal storage conditions but should be protected from moisture and light.

How is Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- (CAS: 119520-06-8) typically synthesized?
Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- (CAS: 119520-06-8) is typically synthesized via a multi-step process involving condensation reactions, alkylation, and hydrolysis. Commonly, the synthesis employs acyl chlorides or carboxylic acids as starting materials, using a Lewis acid catalyst like aluminum chloride or titanium(IV) isopropoxide. The yield is generally around 70-80%, with a high level of structural purity.

What industries use Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- (CAS: 119520-06-8)?
Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- (CAS: 119520-06-8) is used in pharmaceuticals for its potential as an anti-inflammatory and analgesic agent. It also finds applications in the development of sensors for detecting specific analytes due to its unique chemical properties. Additionally, it is explored in the field of semiconductors for its electronic properties.

What precautions should be taken when handling Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- (CAS: 119520-06-8)?
When handling Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- (CAS: 119520-06-8), wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work in a well-ventilated area, preferably in a fume hood, to avoid inhalation. Ensure proper storage in a cool, dry place away from direct sunlight and moisture. In case of a spill, immediately clean up using appropriate absorbents and follow laboratory safety guidelines. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.

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Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- — ShenZhenZhenJiangShengWuJiShu Co Ltd

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Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- — Shanghai Yuyeh Biotechnology Co., Ltd.

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Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- — HuBeiBaiDuHuaXue Co Ltd

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Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- — HuBeiAnAo Biotechnology Co Ltd

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Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- — HuBeiYongKuo Technology Co Ltd

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Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, hydrochloride (1:1), (6R,7R)-rel- — Shanghai SameSharp Biotechnology Co., Ltd.

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