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4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid hydrochloride (1:1) | CAS No. 135159-51-2

4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid hydrochloride (1:1)

Basic Information

Chemical_Structure_Of
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CAS Number

135159-51-2

Molecular Formula

C24H32ClNO6

Molecular Weight

465.97 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
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

158-161°C

Boiling Point

585.9 °C at 760 mmHg

Flash Point

308.1 °C

Solubility

deionized water: ≥5mg/mL

SMILES

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CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)OC(=O)CCC(=O)O.Cl

InChI

InChI=1S/C24H31NO6.ClH/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3;/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27);1H

InChIKey

POQBIDFFYCYHOB-UHFFFAOYSA-N

LogP

3.6192000000000024

Topological Polar Surface Area

85.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

540

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

  • Mci 9042
  • FT-0602637
  • AKOS015889582
  • BUTANEDIOIC ACID, MONO(2-(DIMETHYLAMINO)-1-((2-(2-(3-METHOXYPHENYL)ETHYL)PHENOXY)METHYL)ETHYL) ESTER, HYDROCHLORIDE, (+/-)-
  • Anplag (TN)
  • Anplag
  • Butanedioic acid 1-[2-(dimethylamino)-1-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]ethyl] ester hydrochloride
  • SCHEMBL120568
  • Sarpogrelate hydrochloride- Bio-X
  • CHEMBL541829
  • 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid hydrochloride
  • 4-(1-(dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-yloxy)-4-oxobutanoic acid hydrochloride
  • 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxidanylidene-butanoic acid hydrochloride
  • Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl) ester, hydrochloride
  • BCP07360
  • Sarpogrelate hydrochloride, >=98% (HPLC)
  • D01624
  • Tox21_112490
  • HY-10564
  • Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl) ester, hydrochloride, (+-)-
  • 135159-51-2
  • UNII-FQN8N8QP1B
  • J-006654
  • Q27278133
  • Tox21_112490_1
  • 4-((1-(dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-yl)oxy)-4-oxobutanoic acid HCl
  • 4-{[1-(dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}propan-2-yl]oxy}-4-oxobutanoic acid hydrochloride
  • NCGC00167489-01
  • A806893
  • CAS-135159-51-2
  • AMY8866

MDL Number

MFCD00887582

FAQ

What is 4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid hydrochloride (CAS: 135159-51-2)?
4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid hydrochloride is a complex organic compound. It features a hydrochloride salt form of a specific carboxylic acid with a unique structure containing aromatic rings, amine, and ether functionalities. It has a molecular weight of approximately 684.7 g/mol and is used as an intermediate in the synthesis of other compounds.

What are the main uses of 4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid hydrochloride (CAS: 135159-51-2)?
This compound is primarily used as an intermediate in the pharmaceutical and chemical industries. It serves as a building block for synthesizing other compounds, particularly those used in drug development. Due to its unique structure, it can be used to create derivatives with specific biological activities.

Is 4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid hydrochloride (CAS: 135159-51-2) safe?
The safety of handling this compound depends on proper precautions. It is not inherently dangerous, but exposure to the pure compound can cause irritation to the skin and eyes. It should be handled in a fume hood, and appropriate personal protective equipment (PPE) should be worn. It is classified as non-toxic, but exposure to vapors should be minimized. Follow standard laboratory safety guidelines and check local regulations for handling and disposal.

How should 4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid hydrochloride (CAS: 135159-51-2) be stored?
Store this compound in a cool, dry place, protected from light and moisture. It should be kept in a tightly sealed container to maintain its stability. Avoid temperatures above 30°C and high humidity. Store it away from incompatible materials such as strong acids or bases. It is stable at room temperature but should be kept away from direct sunlight and heat sources.

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Supplier Information

Yiming Biotechnology (Shanghai) Co., Ltd

CAS Number: 135159-51-2

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WuHanKeMeiWo Chemical Co Ltd

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Tianjin Bram Technology Co., Ltd.

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4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid hydrochloride (1:1) — ShenZhenAiTaHuaXue Co Ltd

ShenZhenAiTaHuaXue Co Ltd

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ShenZhenShiZhongFaYuan Biotechnology Co Ltd

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4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid hydrochloride (1:1) — HuNaFuRuiShengWuYiYaoJiShu Co Ltd

HuNaFuRuiShengWuYiYaoJiShu Co Ltd

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4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid hydrochloride (1:1) — Shanghai Jixiang Biotechnology Co., Ltd.

Shanghai Jixiang Biotechnology Co., Ltd.

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WuHanShiXingYiAiKeShengWuYiYao Co Ltd

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ShangHaiYiJi Industrial Co Ltd

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Shanghai Jieshukai Biotechnology Co., Ltd.

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ZhengZhouSaiEnSiYiYao Technology Co Ltd

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4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid hydrochloride (1:1) — Hubei Nona Technology Co., Ltd.

Hubei Nona Technology Co., Ltd.

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