Pyroporphyrin dimethyl ester

Base Information

• Chemical Name: Pyroporphyrin dimethyl ester
• CAS No.: 10589-94-3
• Deprecated CAS: 129196-06-1,168206-48-2,2499-39-0,246037-92-3,283604-12-6,460745-37-3,475639-44-2,942128-90-7,1007459-74-6
• Molecular Formula: C32H34N4O4
• Molecular Weight: 538.646
• Hs Code.: 2931900090
• European Community (EC) Number: 234-195-0
• NSC Number: 17451
• UNII: B2AR39YW5P
• Nikkaji Number: J1.540.426D,J283.769B,J81.526H
• Mol file: 10589-94-3.mol

Synonyms:10589-94-3;PYROPORPHYRIN DIMETHYL ESTER;DEUTEROPORPHYRIN IX DIMETHYL ESTER;Deuteroporphyrin IX dimethyl ester from bovine blood;NSC 17451;DEUTEROPORPHYRIN 1X DIMETHYL ESTER;methyl 3-[18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate;Dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate;NSC-17451;21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, 2,18-dimethyl ester;21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, dimethyl ester;Deuteroporphyrin IX, dimethyl ester;NSC17451;EINECS 234-195-0;MFCD00010033;B2AR39YW5P;SCHEMBL1283763;SCHEMBL8078725;DeuteroporphyrinIX dimethyl ester;BCP10891;AKOS015908800;HY-W073023;CS-0106131;FT-0636743;J-001498;2,18-Dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate;Deuteroporphyrin IX dimethyl ester from bovine blood, technical grade, synthetic, 90%;Dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate, NSC 17451;methyl 3-[20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1{3,6}.1{8,11}.1{13,16}]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoate

Chemical Property of Pyroporphyrin dimethyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 217-220 °C(lit.)
• Refractive Index: 1.602
• Boiling Point: 996.386 °C at 760 mmHg
• Flash Point: 556.394 °C
• PSA: 108.90000
• Density: 1.227 g/cm³
• LogP: 3.01820
• Storage Temp.: ?20°C
• Solubility.: Chloroform; Dichloromethane; DMSO
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 538.25800558
• Heavy Atom Count: 40
• Complexity: 887

Purity/Quality:

98%,99%, ^*data from raw suppliers

DeuteroporphyrinIXDimethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C
• Uses: Reactant for synthesis of:Deuteroporphyrindimethylester Ru(II) complexesRh porphyrinsPorphyrin-linked nitroimidazole antibioticsPorphyrin-fullerene dyadsPorphyrin-platinum complexes

Technology Process of Pyroporphyrin dimethyl ester

There total 20 articles about Pyroporphyrin dimethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

methanol (67-56-1) + deuterohemin chloride (21007-21-6) → deuteroporphyrin IX dimethyl ester (81971-99-5,10589-94-3)

Guidance literature:

With sulfuric acid; at 20 ℃; Sonication;

DOI:10.1016/j.ultsonch.2009.09.008

Reference yield: 93.4%

methanol (67-56-1) + deuteroporphyrin IX → deuteroporphyrin IX dimethyl ester (81971-99-5,10589-94-3)

Guidance literature:

With sulfuric acid; for 18h; Ambient temperature;

DOI:10.3987/COM-98-8203

Reference yield: 85.38%

methanol (67-56-1) + deuteroporphyrin IX (448-65-7) → deuteroporphyrin IX dimethyl ester (10589-94-3)

Guidance literature:

With sulfuric acid; at 20 ℃; for 0.5h; Sonication;

DOI:10.1002/hc.21017

upstream raw materials:

diazomethane

methanol

diethyl 2,7,12,18-tetramethyl-13,17-bis<β-(methoxycarbonyl)ethyl>porphyrin-3,8-dicarboxylate

deuterohemin chloride

Downstream raw materials:

3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-21H,23H-porphine-2,18-diyl)-bis-propionic acid dimethyl ester

Hematinic acid methyl ester

citraconimide

deuteroporphyrinatocopper(II)

Refernces

• 1、 Snellgrove,Plane. "-". . p. 3185. Retrieved 1968.
• 2、 Hu, Bingcheng,Zhou, Weiyou,Tang, Ying,Huang, Chengmei,Liu, Zuliang. "A facile synthesis of deuteroporphyrins derivatives under ultrasound irradiation". . p. 288 - 291. Retrieved 2010.
• 3、 Martin, J.,Quirke, E.,Shaw, George J.,Soper, Paul D.,Maxwell, James R.. "PETROPORPHYRINS - II. THE PRESENCE OF PORPHYRINS WITH EXTENDED ALKYL SUBSTITUENTS". . p. 3261 - 3268. Retrieved 1980.
• 4、 Chen, Zhi-Long,Wan, Wei-Qin,Chen, Jing-Rong,Zhao, Fang,Xu, De-Yu. "Synthesis of tetrapyrrole nitrogen mustards with potential anti-tumor activities". . p. 1739 - 1745. Retrieved 1998.
• 5、 Brockmann Jr.,Bliesener,Inhoffen. "Formyl-and acetyl-substituted deuteroporphyrines". . p. 148 - 161. Retrieved 1968.
• 6、 Miller,Rapoport. "-". . p. 3479. Retrieved 1977.
• 7、 Hu, Bingcheng,Sun, Chengguo,Deng, Quanzhi,Liu, Zuliang. "Synthesis and catalytic properties of a series of cobalt porphyrins as cytochrome P450 model: The effect of substituents on the catalytic activity". . p. 345 - 352. Retrieved 2013/07/26.