CAS No.135-67-1,Phenoxazine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	135-67-1
Name:	Phenoxazine
Article Data:	45

Formula:	C₁₂H₉NO
Molecular Weight:	183.21
Synonyms:	Phenoxazine(6CI,7CI,8CI);5,6-Dibenzo-1,4-oxazine;NSC 72990;10H-Phenoxazine;
EINECS:	205-210-8
Density:	1.196 g/cm³
Melting Point:	156-159 °C(lit.)
Boiling Point:	318 °C at 760 mmHg
Flash Point:	122.6 °C
Solubility:	soluble in ether, benzene, mineral acid and almost insoluble in water
Appearance:	grey to green-grey fine crystalline powder
Safety:	22-24/25
PSA:	21.26000
LogP:	3.67390

Synthetic route

: 6192-43-4
1-(10H-phenoxazin-10-yl)ethan-1-one

: 135-67-1
phenoxazine

Conditions

Conditions	Yield
With sodium methylate Inert atmosphere;	98%
Stage #1: 1-(10H-phenoxazin-10-yl)ethan-1-one With Triethoxysilane; sodium triethylborohydride In tert-butyl methyl ether at 80℃; for 24h; Stage #2: With hydrogenchloride In tert-butyl methyl ether; water at 20℃; for 1h; chemoselective reaction;	69%
With triethyl borane; sodium hydroxide In tert-butyl methyl ether at 80℃; for 6h; Inert atmosphere; Sealed tube;	63%
With sulfuric acid
Multi-step reaction with 2 steps 1: potassium hydroxide; triethyl borane / tetrahydrofuran / 24 h / 25 °C / Inert atmosphere; Schlenk technique; Sealed tube 2: sodium hydroxide; water / tetrahydrofuran / 1 h / 25 °C / Inert atmosphere; Schlenk technique; Sealed tube View Scheme

: N -(2-(2-fluorophenoxy)phenyl)acetamide

: 135-67-1
phenoxazine

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 155℃; for 0.25h; Microwave irradiation; chemoselective reaction;	90%

: 873977-74-3
N -(2-(2-chlorophenoxy)phenyl)acetamide

: 135-67-1
phenoxazine

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 155℃; for 0.25h; Microwave irradiation; chemoselective reaction;	85%

: 204847-21-2
N-(2-(2-bromophenoxy)phenyl)acetamide

: 135-67-1
phenoxazine

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 155℃; for 0.25h; Temperature; Solvent; Reagent/catalyst; Microwave irradiation; chemoselective reaction;	83%
Multi-step reaction with 2 steps 1: caesium carbonate / N,N-dimethyl-formamide / 0.25 h / 100 °C / Microwave irradiation 2: caesium carbonate / N,N-dimethyl-formamide / 0.25 h / 155 °C / Microwave irradiation View Scheme

: 1370030-52-6
N-(2-(2-iodophenoxy)phenyl)acetamide

: 135-67-1
phenoxazine

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 155℃; for 0.25h; Microwave irradiation; chemoselective reaction;	74%
Multi-step reaction with 2 steps 1: potassium carbonate; N,N`-dimethylethylenediamine / toluene / 24 h / 135 °C / Inert atmosphere 2: sodium methylate / Inert atmosphere View Scheme

: C12H9NO(1+)*ClO4(1-)

: 135-67-1
phenoxazine

Conditions

Conditions	Yield
With zinc	73%

cyclopentadienyliron hexafluorophosphate of phenoxazine: cyclopentadienyliron hexafluorophosphate of phenoxazine

: 135-67-1
phenoxazine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide electrolysis in 0.2M KClO4 with mercury pool working electrode, Ag/0.1M AgNO3 reference electrode, Pt counter electrode, potential -1.90 V;	73%

: η6-phenoxazine-η5-cyclopentadienyliron hexafluorophosphate

: 135-67-1
phenoxazine

Conditions

Conditions	Yield
at 200 - 250℃; under 1 Torr; for 1h;	48%

: 204847-21-2
N-(2-(2-bromophenoxy)phenyl)acetamide

A: 6192-43-4
1-(10H-phenoxazin-10-yl)ethan-1-one

B: 135-67-1
phenoxazine

Conditions

Conditions	Yield
With sodium carbonate In N,N-dimethyl-formamide at 155℃; for 0.25h; Reagent/catalyst; Temperature; Microwave irradiation;	A 27% B 48%

: 113202-17-8
10-(α-methylbenzyl)phenoxazine

: 74-88-4
methyl iodide

A: 135-67-1
phenoxazine

B: 113201-93-7
4-methyl-N-(α-phenylethyl)phenoxazine

C: 113202-08-7
4,6-dimethyl-N-(α-phenylethyl)phenoxazine

Conditions

Conditions	Yield
With n-butyllithium Product distribution; other 10-alkylphenoxazines, other electrophiles, various ratios of reagents, regiospecifity of lithiation;	A 2% B 40% C 5.5%
With n-butyllithium 1.) THF, hexane, 0 deg C, 3 h, 2.) -78 deg C, 15 min; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

Raw Materials

495-18-1

100-65-2

75-77-4

25782-99-4

7664-93-9

106-51-4

113202-17-8

68-12-2

Downstream Products

261-79-0

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Specification

The IUPAC name of Phenoxazine is 10H-phenoxazine. With the CAS registry number 135-67-1 and EINECS 205-210-8, it is aslo named as 5,6-Dibenzo-1,4-oxazine. The product's categories are Phenylamine Series; Benzoxazines; Building Blocks; Heterocyclic Building Blocks; N-Containing; Others. It is grey to green-grey fine crystalline powder which is soluble in ether, benzene, mineral acid and almost insoluble in water. When using this chemical, people should not breathe dust and avoid contact with skin and eyes. Additionally, it should be sealed in the container.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 490.94; (6)ACD/BCF (pH 7.4): 491.04; (7)ACD/KOC (pH 5.5): 2936.41; (8)ACD/KOC (pH 7.4): 2936.99; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 54.13 cm³; (14)Molar Volume: 153.1 cm³; (15)Polarizability: 21.46×10^-24 cm³; (16)Surface Tension: 48.5 dyne/cm; (17)Enthalpy of Vaporization: 55.94 kJ/mol; (18)Vapour Pressure: 0.000372 mmHg at 25°C; (19)Exact Mass: 183.068414; (20)MonoIsotopic Mass: 183.068414; (21)Topological Polar Surface Area: 21.3; (22)Heavy Atom Count: 14; (23)Complexity: 187.

Uses of Phenoxazine: It is used as dyes intermediate. It is also used in organic synthesis and biochemical research. In addition, it can react with chloroacetyl chloride to get 10-chloroacetyl-10H-phenoxazine. This reaction needs solvent benzene by heating. The reaction time is 20 hours.

People can use the following data to convert to the molecule structure.
1. SMILES:O2c1ccccc1Nc3c2cccc3
2. InChI:InChI=1/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
3. InChIKey:TZMSYXZUNZXBOL-UHFFFAOYAS