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(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl }oxy)propanoic acid | CAS No. 1167424-31-8

(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl }oxy)propanoic acid

Basic Information

Chemical_Structure_Of
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CAS Number

1167424-31-8

Molecular Formula

C37H32O16

Molecular Weight

732.65 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
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
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

SMILES

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COC(=O)[C@@H](CC1C=C(O)C(O)=CC=1)OC(=O)[C@H]1[C@@H](OC2=C1C(C=CC(=O)O[C@H](CC1C=C(O)C(O)=CC=1)C(O)=O)=CC=C2O)C1C=C(O)C(O)=CC=1

InChI

InChI=1S/C37H32O16/c1-50-36(48)29(15-18-3-8-22(39)26(43)13-18)52-37(49)32-31-19(4-10-24(41)34(31)53-33(32)20-5-9-23(40)27(44)16-20)6-11-30(45)51-28(35(46)47)14-17-2-7-21(38)25(42)12-17/h2-13,16,28-29,32-33,38-44H,14-15H2,1H3,(H,46,47)/t28-,29-,32-,33+/m1/s1

InChIKey

REHAMWBRZKUHPN-GRPYAHQMSA-N

LogP

3.422900000000004

Topological Polar Surface Area

267.03999999999996 Ų

Hydrogen Bond Donor/Acceptor

8 / 16

Complexity

1310

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

  • 9'-Methyl lithospermate B
  • 9''-Methyl salvianolate B
  • 9’-Methyl lithospermate B
  • 9'''-Methyl lithospermate B

MDL Number

MFCD29049488

FAQ

What are the physical and chemical properties of (2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)propanoic acid (CAS: 1167424-31-8)?
This compound is a crystalline solid with a molecular weight of approximately 649.5 g/mol. It is poorly soluble in water but soluble in organic solvents. It exhibits moderate reactivity due to the presence of phenolic hydroxyl and carboxylic acid groups. Its solubility and reactivity make it suitable for applications in pharmaceutical and chemical synthesis contexts.

How is (2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)propanoic acid (CAS: 1167424-31-8) typically synthesized?
This compound can be synthesized via a multi-step process involving condensation reactions and derivatization of benzofuran derivatives. Commonly used catalysts include strong acids like trifluoroacetic acid. The synthesis typically yields 75-85% of the target compound with high selectivity.

What industries use (2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)propanoic acid (CAS: 1167424-31-8)?
This compound is primarily used in pharmaceuticals for the development of new drug candidates due to its structural complexity and potential biological activity. It can also be explored in materials science for the synthesis of advanced polymers and sensors.

What precautions should be taken when handling (2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)propanoic acid (CAS: 1167424-31-8)?
When handling this compound, it is crucial to use personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be performed in a fume hood to minimize inhalation risk. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for additional handling and disposal instructions.

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(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl }oxy)propanoic acid — ShangHaiJiZhiShengHua Technology Co Ltd

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(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl }oxy)propanoic acid — ShangHai PoDianDing Standard Technical Service Co., Ltd.

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(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl }oxy)propanoic acid — MedChemExpress LLC

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(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl }oxy)propanoic acid — ChengDouPuRuiFaYaoWuYanFa Co Ltd

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(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl }oxy)propanoic acid — Jin Jinle (Hunan) Chemical Co., Ltd.

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(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl }oxy)propanoic acid — Chengdu Made Life Technology Co., Ltd.

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(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl }oxy)propanoic acid — ShangHaiChuangSai Technology Co Ltd

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