(2R)-2-({(2E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid

Basic Information

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CAS Number

142998-47-8

Molecular Formula

C20H18O10

Molecular Weight

418.35 g/mol

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

Basic Physical Properties

Physical State

Powder

Density

1.607

Solubility

N/A

SMILES

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C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)CC(=O)O)O)O

InChI

InChI=1S/C20H18O10/c21-13-4-1-10(7-15(13)23)8-16(20(28)29)30-18(26)6-3-11-2-5-14(22)19(27)12(11)9-17(24)25/h1-7,16,21-23,27H,8-9H2,(H,24,25)(H,28,29)/b6-3+/t16-/m1/s1

InChIKey

KFCMFABBVSIHTB-WUTVXBCWSA-N

LogP

1.388399999999999

Topological Polar Surface Area

181.82 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Complexity

648

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

AKOS030573696
BENZENEPROPANOIC ACID, .ALPHA.-(((2E)-3-(2-(CARBOXYMETHYL)-3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-3,4-DIHYDROXY-, (.ALPHA.R)-
MS-27304
Q27254341
SalvianolicacidD
CS-0008887
CHEBI:177612
HY-N0320
Salvianolic acid D
DTXSID801341786
142998-47-8
Salvianolic-acid-D
(R,E)-2-((3-(2-(carboxymethyl)-3,4-dihydroxyphenyl)acryloyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid
(2R)-2-[(E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
SCHEMBL21325112
Benzenepropanoic acid, alpha-(((2E)-3-(2-(carboxymethyl)-3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-3,4-dihydroxy-, (alphaR)-
28R85321EY
UNII-28R85321EY
KFCMFABBVSIHTB-WUTVXBCWSA-N
Benzenepropanoic acid, a-[[(2E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-,(aR)-
Benzenepropanoic acid, a-[[(2E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]-1-oxo-2-propen-1-yl]...
Benzenepropanoic acid,a-[[3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-,[R-(E)]-
Benzenepropanoicacid, a-[[(2E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-,(aR)- (9CI)
(alphaR)-alpha-[[(2E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoic acid
A14628
(2S)-2-[(E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propano
SALVIANOLICACID D
Y0179
(2R)-2-[(E)-3-[2-(carboxyme

MDL Number

MFCD23379932

FAQ

What regulatory guidelines apply to (2R)-2-({(2E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid (CAS: 142998-47-8)?

The compound (2R)-2-({(2E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid (CAS: 142998-47-8) falls under the scope of the REACH regulation in the EU, which requires registration for substances above one tonne per year. It is also regulated by OSHA in the USA, and its safety data sheet (SDS) should include information on its handling, storage, and disposal as per OSHA and the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) guidelines. Additionally, it may be subject to FDA regulations in the United States if used in pharmaceuticals or cosmetics.

Are there alternatives to (2R)-2-({(2E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid (CAS: 142998-47-8) in synthesis?

Several alternatives to (2R)-2-({(2E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid (CAS: 142998-47-8) exist in synthesis, including other carboxylic acids with similar functional groups. For instance, salicylic acid or benzoic acid can be used as starting materials. Additionally, isomers such as (2S)-2-({(2E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid may be explored as alternatives, depending on the specific requirements of the synthesis.

What is the market or research trend for (2R)-2-({(2E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid (CAS: 142998-47-8)?

The market for (2R)-2-({(2E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid (CAS: 142998-47-8) is currently growing due to its potential applications in biopharmaceuticals and research, particularly in the field of medicinal chemistry and drug discovery. Research trends are focusing on its use as an intermediate in the synthesis of other compounds, as well as its potential therapeutic applications. However, further studies are needed to validate its efficacy and safety in clinical settings.

How should waste containing (2R)-2-({(2E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid (CAS: 142998-47-8) be handled?

Waste containing (2R)-2-({(2E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid (CAS: 142998-47-8) should be collected in appropriate containers, ensuring minimal contact with skin and eyes. It should be disposed of through a professional waste disposal service that adheres to local, national, and international regulations. Incineration is a common method for disposing of such waste, and it should be carried out in a controlled manner to minimize environmental impact. Environmental protection measures, including proper containment and handling, should be strictly followed to prevent contamination of soil and water sources.