Protoporphyrin IX dimethylester

Basic Information

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CAS Number

5522-66-7

Molecular Formula

C36H38N4O4

Molecular Weight

590.72 g/mol

EINECS

226-870-3

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

Melting Point

225-228 °C

Boiling Point

1016.967°C at 760 mmHg

Density

1.1960

Solubility

DMSO: soluble

SMILES

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CC1=C2/C=C3C(C)=C(CCC(OC)=O)C(/C=C(N/4)/C(CCC(OC)=O)=C(C)C4=C\C5=N/C(C(C)=C5C=C)=C\C(N2)=C1C=C)=N/3

InChI

InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,37,40H,1-2,11-14H2,3-8H3

InChIKey

WASRLAPXOHTNAX-UHFFFAOYSA-N

LogP

7.680840000000007

Topological Polar Surface Area

109.96000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

1040

Safety Information

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Storage Conditions

Keep in dark place,Inert atmosphere,2-8°C

Stability

感光

Synonyms & References

English

Protoporphyrin IX dimethyl ester
Dimethyl 8,13-divinyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
3-Phenylpropionyl chloride
Ooporpyhrin dimethyl ester
Protoporphyrin IX dimethyl ester, ≥95%(HPLC)
methyl 3-[8,13-di(ethenyl)-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
methyl 3-[8,13-di(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
Protoporphyrin IX diMethyl es
21H,23H-Porphine-2,18-dipropanoicacid, 7,12-diethenyl-3,8,13,17-tetraMethyl-, 2,18-diMethyl ester
ProtoporphyrinIX dimethyl ester,Dimethyl 8,13-divinyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate, Ooporpyhrin dimethyl ester
dimethyl 8,13-divinyl-3,7,12,17-tetramethyl-21h,23h-porphine-2,18-dipropionate
7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-Porphine-2,18-dipropanoic acid- 2,18-dimethyl ester

MDL Number

MFCD29047709

EC Number

226-870-3

FAQ

What are the physical and chemical properties of Protoporphyrin IX dimethylester (CAS: 5522-66-7)?

Protoporphyrin IX dimethylester (CAS: 5522-66-7) is a reddish-brown crystalline solid with a molecular weight of approximately 650.58 g/mol. It has a low solubility in water but is soluble in organic solvents such as methanol and ethanol. The compound is relatively stable but can react with certain metal ions. It is used in various applications due to its unique chemical properties.

How is Protoporphyrin IX dimethylester (CAS: 5522-66-7) typically synthesized?

Protoporphyrin IX dimethylester (CAS: 5522-66-7) is synthesized through a multistep process involving the preparation of protoporphyrin IX and subsequent methylation. The reaction is typically catalyzed by a Lewis acid such as boron trifluoride. The yield can be increased by optimizing reaction conditions and using high purity starting materials.

What industries use Protoporphyrin IX dimethylester (CAS: 5522-66-7)?

Protoporphyrin IX dimethylester (CAS: 5522-66-7) is used in various industries. It is employed as a photosensitizer in photodynamic therapy, as a sensor material, and in the development of organic semiconductors. Additionally, it has applications in the production of certain dyes and pigments.

What precautions should be taken when handling Protoporphyrin IX dimethylester (CAS: 5522-66-7)?

When handling Protoporphyrin IX dimethylester (CAS: 5522-66-7), it is important to use personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.