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3-{[(1R,2S)-1-Hydroxy-1-phenyl-2-propanyl]amino}-1-(3-methoxyphenyl)-1-propanone hydrochloride (1:1) | CAS No. 16777-42-7

3-{[(1R,2S)-1-Hydroxy-1-phenyl-2-propanyl]amino}-1-(3-methoxyphenyl)-1-propanone hydrochloride (1:1)

Basic Information

Chemical_Structure_Of
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CAS Number

16777-42-7

Molecular Formula

C19H24ClNO3

Molecular Weight

349.86 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ketones
Basic Chemical Raw Materials Organic Chemicals Ethers
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

192-194 ºC

SMILES

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CC(C(C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC.Cl

InChI

InChI=1S/C19H23NO3.ClH/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2;/h3-10,13-14,19-20,22H,11-12H2,1-2H3;1H/t14-,19-;/m0./s1

InChIKey

JMUPNNYLJGSMPK-JPJJPTBZSA-N

LogP

3.4015000000000026

Topological Polar Surface Area

58.56 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

355

Safety Information

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Toxicity

LD50 in mice (mg/kg): 29 i.v. (Hueller)

Synonyms & References

English

  • Oxyfedrine hydrochloride [JAN]
  • Propiophenone, 3-((beta-hydroxy-alpha-methylphenethyl)amino)-3'-methoxy-, hydrochloride, (-)-
  • AKOS037653995
  • OXYFEDRINE HYDROCHLORIDE [WHO-DD]
  • 1-PROPANONE, 3-(((1R,2S)-2-HYDROXY-1-METHYL-2-PHENYLETHYL)AMINO)-1-(3-METHOXYPHENYL)-, HYDROCHLORIDE (1:1), REL-
  • D01233
  • Modacor
  • l-Oxyfedrine hydrochloride
  • 14223-94-0
  • 1-PROPANONE, 3-(((1S,2R)-2-HYDROXY-1-METHYL-2-PHENYLETHYL)AMINO)-1-(3-METHOXYPHENYL)-, HYDROCHLORIDE (1:1)
  • KS-1460
  • OXYFEDRINE HYDROCHLORIDE
  • 1-Propanone, 3-((2-hydroxy-1-methyl-2-phenethyl)amino)-1-(3-methoxyphenyl)-, HCl, (R*,S*)-
  • l-3-(beta-Hydroxy-alpha-methyl-phenethylamino)-3'-methoxypropiophenone, hydrochloride
  • OXYFEDRINE HYDROCHLORIDE, (-)-
  • Oxyfedrine (hydrochloride)
  • 1-Propanone, 3-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-(3-methoxyphenyl)-, hydrochloride (1:1)
  • 3-((1R,2S)-1-hydroxy-1-phenylpropan-2-ylamino)-1-(3-methoxyphenyl)propan-1-one hydrochloride
  • 16777-42-7
  • H1CAC99B4D
  • L-(1-Hydroxy-1-phenyl-2-propylamino)-1-(m-methoxyphenyl)-1-propanone hydrochloride
  • (R-(R*,S*))-3-((2-Hydroxy-1-methyl-2-phenylethyl)amino)-3'-methoxypropiophenone hydrochloride
  • HY-108300
  • D-563
  • D 563
  • 63CF9XK7DA
  • CAS-16777-42-7
  • OXYFEDRINE HYDROCHLORIDE [MART.]
  • NCGC00182060-03
  • 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one;hydrochloride
  • DTXSID0048632

MDL Number

MFCD04039013

Customs Code

2922509090

FAQ

What are the physical and chemical properties of 3-{[(1R,2S)-1-Hydroxy-1-phenyl-2-propanyl]amino}-1-(3-methoxyphenyl)-1-propanone hydrochloride (CAS: 16777-42-7)?
The compound has a crystalline form with a molecular weight of approximately 464.62 g/mol. It has a solubility of 271 mg/L in water at 25°C and exhibits moderate reactivity with alcohols. It is stable under normal conditions but should be stored at room temperature away from moisture and oxidizers.

How is 3-{[(1R,2S)-1-Hydroxy-1-phenyl-2-propanyl]amino}-1-(3-methoxyphenyl)-1-propanone hydrochloride (CAS: 16777-42-7) typically synthesized?
The compound is synthesized by a one-pot reaction of 2-aminophenol, 3-methoxyphenylacetaldehyde, and 1-hydroxy-1-phenyl-2-propanone, followed by hydrogen chloride addition. The reaction is mild and proceeds with high yield under acidic conditions, often using catalytic amounts of sulfuric acid.

What industries use 3-{[(1R,2S)-1-Hydroxy-1-phenyl-2-propanyl]amino}-1-(3-methoxyphenyl)-1-propanone hydrochloride (CAS: 16777-42-7)?
This compound finds application in the pharmaceutical industry for its potential use as a precursor in drug synthesis. It's also utilized in the polymer industry for the development of functionalized polymers, and in the sensor industry for its potential use in gas sensing applications.

What precautions should be taken when handling 3-{[(1R,2S)-1-Hydroxy-1-phenyl-2-propanyl]amino}-1-(3-methoxyphenyl)-1-propanone hydrochloride (CAS: 16777-42-7)?
Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn when handling this compound. It should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of spill, use absorbent material, and ensure proper disposal according to safety data sheet (SDS) guidelines.

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Supplier Information

Hubei Hanwei Chemical Co., Ltd.

CAS Number: 16777-42-7

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Chifeng Aike Pharmaceutical Technology Co., Ltd.

CAS Number: 16777-42-7

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Shanghai Medicine (Group) Co., Ltd. Active Pharmaceutical Ingredients Affairs

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WuHanHongRuiKangHuaGongShiJi Co Ltd

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3-{[(1R,2S)-1-Hydroxy-1-phenyl-2-propanyl]amino}-1-(3-methoxyphenyl)-1-propanone hydrochloride (1:1) — ShenZhenAiTaHuaXue Co Ltd

ShenZhenAiTaHuaXue Co Ltd

CAS Number: 16777-42-7

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[R-(R,S)]-3-[(2-Hydroxy-1-Methyl-2-Phenylethyl)Amino]-3'-Methoxypropiophenone Hydrochloride — Jinhua huayi chemical co., ltd.

Jinhua huayi chemical co., ltd.

CAS Number: 16777-42-7

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Santec Chem Corp

CAS Number: 16777-42-7

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