3-[12-(1-{1-[13,17-Bis(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-2-porphyrinyl]ethoxy}ethyl)-18-(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-2-porphyrinyl]propanoic acid

Basic Information

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CAS Number

87806-31-3

Molecular Formula

C68H74N8O11

Molecular Weight

1179.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

SMILES

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Cc1/c/2c/c3c(c(c([nH]3)/cc/4\nc(/cc/5\nc(/cc(/c1C(C)O)\[nH]2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)C)C(C)OC(C)c\6c(/c/7c/c8c(c(c([nH]8)/cc/9\nc(/cc/1\nc(/cc6\[nH]7)C(=C1CCC(=O)O)C)C(=C9C)CCC(=O)O)C)C(C)O)C

InChI

InChI=1S/C68H74N8O11/c1-29-41(13-17-61(79)80)53-28-56-44(16-20-64(85)86)32(4)48(72-56)24-59-68(36(8)52(76-59)25-58-65(37(9)77)33(5)49(73-58)21-45(29)69-53)40(12)87-39(11)67-35(7)50-22-46-30(2)42(14-18-62(81)82)54(70-46)27-55-43(15-19-63(83)84)31(3)47(71-55)23-57-66(38(10)78)34(6)51(74-57)26-60(67)75-50/h21-28,37-40,73-78H,13-20H2,1-12H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86)/b45-21-,46-22-,47-23-,48-24-,49-21-,50-22-,51-26-,52-25-,53-28-,54-27-,55-27-,56-28-,57-23-,58-25-,59-24-,60-26-

InChIKey

UZFPOOOQHWICKY-STKOUIOXSA-N

LogP

14.30407999999998

Topological Polar Surface Area

313.60999999999996 Å²

Hydrogen Bond Donor/Acceptor

10 / 19

Synonyms & References

English

Porfimer
Photofrin Porfimer sodium
PHOTOFRINII
hematoporphyrin D, sodium salt
Photofrin
Photofrin 2
Polyhematoporphyrin ether
Porfimer sodico
Photofrin Porfimersodium
PORFIMER
PORFIMERSODIUM
Porfimer Sodium

FAQ

What are the physical and chemical properties of 3-[12-(1-{1-[13,17-Bis(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-2-porphyrinyl]ethoxy}ethyl)-18-(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-2-porphyrinyl]propanoic acid (CAS: 87806-31-3)?

This compound has a high molecular weight and crystalline form. Its solubility in common organic solvents is limited, making it poorly soluble. Chemically, it is highly reactive due to the presence of carboxylic acid and hydroxyethyl groups, which can participate in various chemical reactions. It is stable under neutral to slightly acidic conditions but requires protection from strong acids and bases. Its reactivity makes it suitable for use in advanced organic synthesis and functional materials.

How is 3-[12-(1-{1-[13,17-Bis(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-2-porphyrinyl]ethoxy}ethyl)-18-(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-2-porphyrinyl]propanoic acid (CAS: 87806-31-3) typically synthesized?

This compound is synthesized through multi-step organic synthesis involving the formation of porphyrin and its derivatives. Key steps include condensation reactions, alkylation, and esterification. The synthesis typically requires precise control of conditions, such as temperature and pH, to ensure high yield and selectivity. Commonly used catalysts include organic bases and transition metal complexes.

What industries use 3-[12-(1-{1-[13,17-Bis(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-2-porphyrinyl]ethoxy}ethyl)-18-(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-2-porphyrinyl]propanoic acid (CAS: 87806-31-3)?

This compound finds applications in the pharmaceutical industry for its potential in drug delivery systems and sensing applications. It is also used in the development of advanced materials, including sensors and semiconductors, due to its unique electronic and optical properties.

What precautions should be taken when handling 3-[12-(1-{1-[13,17-Bis(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-2-porphyrinyl]ethoxy}ethyl)-18-(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-2-porphyrinyl]propanoic acid (CAS: 87806-31-3)?

Proper personal protective equipment (PPE) must be worn, including gloves, goggles, and a lab coat. Handling should be conducted in a well-ventilated area, preferably under a fume hood. Spills should be cleaned up according to safety data sheet (SDS) guidelines, ensuring all residues are properly disposed of. This compound should be stored in a cool, dry place away from strong acids, bases, and oxidizers to prevent decomposition and chemical reactions.

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

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3-[12-(1-{1-[13,17-Bis(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-2-porphyrinyl]ethoxy}ethyl)-18-(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-2-porphyrinyl]propanoic acid | CAS No. 87806-31-3

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Synonyms & References

English

FAQ

What are the physical and chemical properties of 3-[12-(1-{1-[13,17-Bis(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-2-porphyrinyl]ethoxy}ethyl)-18-(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-2-porphyrinyl]propanoic acid (CAS: 87806-31-3)?

How is 3-[12-(1-{1-[13,17-Bis(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-2-porphyrinyl]ethoxy}ethyl)-18-(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-2-porphyrinyl]propanoic acid (CAS: 87806-31-3) typically synthesized?

What industries use 3-[12-(1-{1-[13,17-Bis(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-2-porphyrinyl]ethoxy}ethyl)-18-(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-2-porphyrinyl]propanoic acid (CAS: 87806-31-3)?

What precautions should be taken when handling 3-[12-(1-{1-[13,17-Bis(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-2-porphyrinyl]ethoxy}ethyl)-18-(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-2-porphyrinyl]propanoic acid (CAS: 87806-31-3)?

Related Compounds

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