CAS No.519-62-0,(SP-4-2)-((2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-magnesium Suppliers

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Basic Information

Molecular Structure:
CAS No.:	519-62-0
Name:	(SP-4-2)-((2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-magnesium
Article Data:	1

Formula:	C₅₅H₇₀MgN₄O₆
Molecular Weight:	907.489
Synonyms:	Magnesium,[3,7,11,15-tetramethyl-2-hexadecenyl9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-kN23,kN24,kN25,kN26]-, [SP-4-2-[3S-[3a(2E,7S,11S),4b,21b]]]-;Magnesium, [dihydrogen21-carboxy-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinyl-3-phorbinepropionato(2-)]-,21-methyl 3-phytyl ester, (E)- (8CI);3-Phorbinepropanoic acid,9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenylester, magnesium complex, [3S-[3a(2E,7S,11S),4b,21b]]-;Chlorophyll b;Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-,[SP-4-2-[3S-[3a(2E,7S,11S),4b,21b]]]-;b-Chlorophyll;
EINECS:	208-272-4
Melting Point:	183-185 °C(lit.)
Boiling Point:	1071.6oC at 760mmHg
Flash Point:	601.9oC
Appearance:	green
Safety:	22-24/25
PSA:	121.32000
LogP:	9.13350

Synthetic route

: 3147-18-0, 75498-61-2
pheophytin b

A: 519-62-0
(10R)-Chlorophyll b

B: (10S)-Chlorophyll b'

Conditions

Conditions	Yield
With lithium-di-t-butyl-4-methylphenoxide In thiophene at 50℃; for 0.5h; Yield given. Yields of byproduct given;

: 519-62-0
(10R)-Chlorophyll b

: (10S)-Chlorophyll b'

Conditions

Conditions	Yield
With triethylamine at 50℃; for 0.333333h;	100%

: 519-62-0
(10R)-Chlorophyll b

: 3147-18-0, 75498-61-2
pheophytin b

Conditions

Conditions	Yield
With trichloroacetic acid In tetrahydrofuran; Petroleum ether for 0.25h;	100%
With trichloroacetic acid

: 67-56-1
methanol

: 519-62-0
(10R)-Chlorophyll b

: 132(S)-hydroxy-10-methoxychlorophyll b

Conditions

Conditions	Yield
With triplet oxygen	8%

: 110-89-4
piperidine

: 519-62-0
(10R)-Chlorophyll b

: Magnesium Isorhodin g5 6-Carboxypiperidide Phytyl Methyl Ester

Conditions

Conditions	Yield
In diethyl ether

: 67-56-1
methanol

: 519-62-0
(10R)-Chlorophyll b

: (18S)-8-ethyl-9-formyl-1-methoxy-4,14,18r-trimethyl-3-oxo-19t-[2-((2E,7R,11R)-3,7,11,15-tetramethyl-hexadec-2-enyloxycarbonyl)-ethyl]-13-vinyl-18,19-dihydro-1H,3H,21H,23H-pyrano[3,4,5-ta]porphine-1ξ-carboxylic acid methyl ester; magnesium complex (1:1)

: 107-10-8
propylamine

: 519-62-0
(10R)-Chlorophyll b

: Magnesium Isorhodin g5 6-Carboxypropylamide-3-propylaldimin Phytyl Methyl Ester

Conditions

Conditions	Yield
In diethyl ether

: 519-62-0
(10R)-Chlorophyll b

: Pyrochlorophyll b

: 519-62-0
(10R)-Chlorophyll b

: 10-OH-Chlorophyll b

Conditions

Conditions	Yield
In methanol

: 67-56-1
methanol

: 519-62-0
(10R)-Chlorophyll b

: C56H72N4O8(2-)*Mg(2+)

Conditions

Conditions	Yield
With oxygen In acetone under 760 Torr; for 62h; Mechanism; Product distribution; Ambient temperature; inhibiting action of lutein, pure O2;

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Specification

This chemical is called Chlorophyll B, and it can also be named as (SP-4-2)-((2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-magnesium. With the molecular formula of C₅₅H₇₀MgN₄O₆, its molecular weight is 907.47. The CAS registry number of this chemical is 519-62-0, and its product categories are Miscellaneous Natural Products; Organometallics; Biochemicals Found in Plants; Nutrition Research; Other Biochemical; CNutrition Research; Core Bioreagents; Other BiochemicalResearch Essentials; Stains and Dyes; Stains & Dyes, A to. In addition, this chemical is soluble in methanol, ethanol and ethyl acetate, almost insoluble in ether and acetone. However, this chemical should be stored at the temperature of 2-8 °C.

Other characteristics of the Chlorophyll B can be summarised as followings:(1)Rotatable Bond Count: 23; (2)Tautomer Count: 711; (3)Topological Polar Surface Area: 114; (4)Heavy Atom Count: 66; (5)Formal Charge: 0; (6)Complexity: 2180; (7)Isotope Atom Count: 0; (8)Defined Atom StereoCenter Count: 4; (9)Undefined Atom StereoCenter Count: 1; (10)Defined Bond StereoCenter Count: 1; (11)Undefined Bond StereoCenter Count: 0; (12)Covalently-Bonded Unit Count: 2; (13)#H bond acceptors: 10; (14)#H bond donors: 0; (15)#Freely Rotating Bonds: 23; (16)Polar Surface Area: 119.63 Å².

Uses of this chemical: Chlorophyll B is a form of chlorophyll. Chlorophyll b helps in photosynthesis by absorbing light energy. It's often used for the soap, mineral oil, wax and oil coloring. The derivatives of this chemical is usually used as deodorant or coloring for food, candy, beverages, toothpaste, etc.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.InChI: InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51?;/m1./s1
2.InChIKey: NSMUHPMZFPKNMZ-IOBBVUIDSA-M