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| CAS No.: | 101-60-0 |
|---|---|
| Name: | PORPHINE |
| Molecular Structure: | |
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| Formula: | C20H14N4 |
| Molecular Weight: | 310.358 |
| Synonyms: | Porphine(6CI,7CI,8CI);21,22,23,24-Tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene;Porphin;Porphyrin; |
| EINECS: | 202-958-7 |
| Density: | 1.353 g/cm3 |
| Melting Point: | 360°C |
| Boiling Point: | 804.4 °C at 760 mmHg |
| Flash Point: | 377.479 °C |
| PSA: | 56.30000 |
| LogP: | 1.19220 |
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- 101-60-0
porphyrin
| Conditions | Yield |
|---|---|
| With 1,8-diazabicyclo[5.4.0]undec-7-ene In n-heptan1ol | 80% |
- 101-60-0
porphyrin
| Conditions | Yield |
|---|---|
| With sulfuric acid; water; sodium sulfate at 180℃; for 0.5h; | 77% |
- 101-60-0
porphyrin
| Conditions | Yield |
|---|---|
| With sulfuric acid at 90℃; for 0.25h; | 74% |
| With sulfuric acid In isopropyl alcohol at 90℃; for 1h; | |
| With sulfuric acid In butan-1-ol at 90℃; for 0.25h; |
- 109-63-7
trifluoroborane diethyl ether
- 84-58-2
2,3-dicyano-5,6-dichloro-p-benzoquinone
- 1030624-07-7
3,5-dihexylbenzaldehyde
B
- 101-60-0
porphyrin
| Conditions | Yield |
|---|---|
| In chloroform | A n/a B 40% |
- 1046493-99-5
1-formyl-5-(3-pyridyl)dipyrromethane
- 36746-27-7
5-formyl-2,2'-dipyrrylmethane
B
- 101-60-0
porphyrin
| Conditions | Yield |
|---|---|
| With air; 1,8-diazabicyclo[5.4.0]undec-7-ene; magnesium bromide In toluene at 115℃; microwave irradiation; | A 32% B 6% |
- 1046493-90-6
1-nicotinoyl-5-(3-pyridyl)dipyrromethane
- 36746-27-7
5-formyl-2,2'-dipyrrylmethane
A
- 40882-83-5
5,10,15,20-tetra(3-pyridyl)porphyrin
C
- 101-60-0
porphyrin
| Conditions | Yield |
|---|---|
| With air; 1,8-diazabicyclo[5.4.0]undec-7-ene; magnesium bromide In toluene at 115℃; microwave irradiation; | A 3% B 28% C 13% |
- 1046493-94-0
1-picolinoyl-5-(4-pyridyl)dipyrromethane
- 36746-27-7
5-formyl-2,2'-dipyrrylmethane
B
- 101-60-0
porphyrin
| Conditions | Yield |
|---|---|
| With air; 1,8-diazabicyclo[5.4.0]undec-7-ene; magnesium bromide In toluene at 115℃; microwave irradiation; | A 11% B 28% |
- 1046493-91-7
1-isonicotinoyl-5-(4-pyridyl)dipyrromethane
- 36746-27-7
5-formyl-2,2'-dipyrrylmethane
B
- 101-60-0
porphyrin
C
- 16834-13-2
5,10,15,20-tetra(4-pyridyl)-21H,23H-porphine
| Conditions | Yield |
|---|---|
| With air; 1,8-diazabicyclo[5.4.0]undec-7-ene; magnesium bromide In toluene at 115℃; for 1.5h; microwave irradiation; | A 27% B 16% C 14% |
- 1046493-89-3
1-picolinoyl-5-(2-pyridyl)dipyrromethane
- 36746-27-7
5-formyl-2,2'-dipyrrylmethane
B
- 101-60-0
porphyrin
| Conditions | Yield |
|---|---|
| With air; 1,8-diazabicyclo[5.4.0]undec-7-ene; magnesium bromide In toluene at 115℃; microwave irradiation; | A 13% B 15% C 12% |
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Specification
The 21H,23H-Porphine, with the CAS registry number 101-60-0, is also known as Porphine. It belongs to the product categories of Porphyrins; Synthetic Porphyrins. This chemical's molecular formula is C20H14N4 and molecular weight is 310.35. What's more, its systematic name is porphyrin.
Physical properties of 21H,23H-Porphine are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 57.36 Å2; (7)Index of Refraction: 1.72; (8)Molar Refractivity: 90.584 cm3; (9)Molar Volume: 229.261 cm3; (10)Polarizability: 35.91 × 10-24 cm3; (11)Surface Tension: 74.658 dyne/cm; (12)Density: 1.354 g/cm3; (13)Flash Point: 377.479 °C; (14)Enthalpy of Vaporization: 112.898 kJ/mol; (15)Boiling Point: 804.44 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by meso-tetra(tert-butyl)porphyrin at the temperature of 90 °C. This reaction will need reagent conc.H2SO4 with the reaction time of 15 min. The yield is about 74%.
Uses of 21H,23H-Porphine: it can be used to produce 5-monobromoporphin and 5,15-dibromoporphin at the temperature of 2-5 °C. It will need reagent N-bromosuccinimide and solvent CHCl3 with the reaction time of 5 min. The yield is about 71%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: c1c/2[nH]c(c1)/cc/3\nc(/cc/4\[nH]/c(c\c5n/c(c2)/C=C5)/cc4)C=C3
(2)InChI: InChI=1/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21,24H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-
(3)InChIKey: RKCAIXNGYQCCAL-CEVVSZFKBA