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Pheophorbide A
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Name

Pheophorbide A

 EINECS 239-738-5
CAS No. 15664-29-6 Density 1.282 g/cm3
PSA 136.97000 LogP 3.53890
Solubility N/A Melting Point 191-195 °C
Formula C35H36N4O5 Boiling Point 1018.984 °C at 760 mmHg
Molecular Weight 592.695 Flash Point 570.061 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 15664-29-6 (Pheophorbide A) Hazard Symbols N/A
Synonyms

3-Phorbinepropanoicacid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,[3S-(3a,4b,21b)]-;3-Phorbinepropionic acid,21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-, 21-methyl ester(8CI);Pheophorbide a (6CI,7CI);2-Deacetyl-2-vinylbacteriopheophorbide;Phaeophorbide a;Pheophorbide a5;

Article Data 35

Pheophorbide A Synthetic route

603-17-8

pheophytin a

15664-29-6

pheophorbide-a

Conditions
ConditionsYield
In water; trifluoroacetic acid at 0℃; for 0.916667h;92%
5594-30-9, 64070-09-3, 138812-88-1

methylpheophorbide a

15664-29-6

pheophorbide-a

Conditions
ConditionsYield
With hydrogenchloride In acetone at 20 - 25℃; for 22h;80%
With hydrogenchloride; water In acetone at 20℃; for 24h;70%
Acidic aq. solution;
603-17-8

pheophytin a

15664-29-6

pheophorbide-a

Conditions
ConditionsYield
With trifluoroacetic acid In water at 0℃; for 1h; Inert atmosphere; Darkness;58%
With hydrogenchloride
With enzyme-substance from heracleum spondylium
53321-11-2, 479-61-8

chlorophyll-a

15664-29-6

pheophorbide-a

Conditions
ConditionsYield
With hydrogenchloride; water In diethyl ether at 0℃; for 0.5h;
479-61-8, 22309-13-3, 71523-21-2

chlorophyll a

15664-29-6

pheophorbide-a

Conditions
ConditionsYield
With hydrogenchloride In diethyl ether
methylchlorophyllide-a

methylchlorophyllide-a

15664-29-6

pheophorbide-a

Conditions
ConditionsYield
With hydrogenchloride
603-17-8, 47907-36-8, 74984-11-5, 74984-81-9, 75598-38-8

pheophytin a

15664-29-6

pheophorbide-a

Conditions
ConditionsYield
With trifluoroacetic acid In water at 0℃; for 1h; Inert atmosphere; Darkness;1.3 g

chlorophyllide α

15664-29-6

pheophorbide-a

Conditions
ConditionsYield
With hydrogenchloride In water; acetone at 25℃; Kinetics; pH-value;
With sulfuric acid In acetone at 20℃; Darkness;
With sulfuric acid

pheophytin a

15664-29-6

pheophorbide-a

Conditions
ConditionsYield
With hydrogenchloride; water In diethyl ether for 2h;Ca. 20 g

α-chlorophyll

15664-29-6

pheophorbide-a

Conditions
ConditionsYield
Stage #1: chlorophyll α With sulfuric acid In dichloromethane; water Darkness;
Stage #2: With sulfuric acid In methanol
With hydrogenchloride In diethyl ether; water at 0 - 5℃; for 0.5h;

Pheophorbide A Specification

The Pheophorbide A with the cas number 15664-29-6 is also called 3-Phorbinepropanoicacid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,(3S,4S,21R)-. Its EINECS registry number is 239-738-5. The molecular formula is C35H36N4O5. This chemical belongs to the following product categories: (1)Natural Porphyrins and Derivitives; (2)Porphyrins. It is split product of chlorophyll obtained by saponification of pheophytin.

The properties of the chemical are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 1   ; (3)#H bond acceptors: 9; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 138.03Å2; (7)Index of Refraction: 1.63; (8)Molar Refractivity: 164.457 cm3; (9)Molar Volume: 462.172 cm3; (10)Polarizability: 65.196×10-24cm3; (11)Surface Tension: 57.972 dyne/cm; (12)Enthalpy of Vaporization: 155.903 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)CC[C@@H]6c1nc(cc5nc(cc4nc(cc3nc2c(C(=O)[C@H](C(=O)OC)c12)c3C)C(\CC)=C4\C)c(c5C)\C=C)[C@H]6C
(2)InChI: InChI=1/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-,31+/m0/s1
(3)InChIKey: NSFSLUUZQIAOOX-QEWKCGBTBX

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