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Structure

Meso-tetra(4-carboxyphenyl)porphine Tetramethyl ester

CAS
22112-83-0
Catalog Number
ACM22112830-3
Category
Other Products
Molecular Weight
846.88
Molecular Formula
C52H38N4O8

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Specification

Synonyms
5,10,15,20-meso-Tetrakis[4-(methoxycarbonyl)phenyl]porphyrin;Tetramethyl 4,4',4'',4'''-(5,10,15,20-porphyrintetrayl)tetrabenzoate
IUPAC Name
methyl 4-[10,15,20-tris(4-methoxycarbonylphenyl)-21,23-dihydroporphyrin-5-yl]benzoate
InChI
InChI=1S/C52H38N4O8/c1-61-49(57)33-13-5-29(6-14-33)45-37-21-23-39(53-37)46(30-7-15-34(16-8-30)50(58)62-2)41-25-27-43(55-41)48(32-11-19-36(20-12-32)52(60)64-4)44-28-26-42(56-44)47(40-24-22-38(45)54-40)31-9-17-35(18-10-31)51(59)63-3/h5-28,53,56H,1-4H3
InChI Key
NVCZKUSRWBBGAH-UHFFFAOYSA-N
Boiling Point
250 °C
Melting Point
250 °C
Appearance
Purple solid
Complexity
1370
CompoundIs Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
846.26896418g/mol
Formal Charge
0
Heavy Atom Count
64
Hydrogen Bond Acceptor Count
10
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
846.26896418g/mol
NSC Number
131054
Rotatable Bond Count
12
Topological Polar Surface Area
163Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
9.8
June 16, 2023


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Upstream Synthesis Route 1

  • 109-97-7
  • 1571-08-0
  • 22112-83-0

Reference: [1]Chemistry - A European Journal,2021,vol. 27,p. 4993 - 5002

Downstream Synthesis Route 1

  • 22112-83-0
  • 14945-25-6

Reference: [1]Tetrahedron Letters,1990,vol. 31,p. 4739 - 4742
[2]RSC Advances,2016,vol. 6,p. 62916 - 62922

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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