CAS No.117-02-2,1,3-DIHYDROXY-2-METHYLANTHRAQUINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	117-02-2
Name:	1,3-DIHYDROXY-2-METHYLANTHRAQUINONE
Article Data:	21

Formula:	C₁₅H₁₀O₄
Molecular Weight:	254.242
Synonyms:	Anthraquinone,1,3-dihydroxy-2-methyl- (7CI,8CI);Rubiadin (6CI);1,3-Dihydroxy-2-methylanthraquinone;C.I. 75350;Rubiadine;
Density:	1.476 g/cm³
Melting Point:	290℃
Boiling Point:	527.1 °C at 760 mmHg
Flash Point:	286.6 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	74.60000
LogP:	2.18160

Synthetic route

: 85-44-9
phthalic anhydride

: 608-25-3
2-methylbenzene-1,3-diol

: 117-02-2
rubiadin

Conditions

Conditions	Yield
With aluminum (III) chloride; sodium chloride at 165 - 175℃; for 1h; Friedel-Crafts Acylation;	65%
With aluminum (III) chloride; sodium chloride at 130 - 170℃; for 0.75h;	64%
With aluminum (III) chloride; sodium chloride at 165 - 170℃; for 0.75h; Friedel-Crafts Acylation;	40%
With aluminum (III) chloride; sodium chloride
With aluminum (III) chloride Microwave irradiation;

: 22170-88-3
1,3-dimethoxy-2-methylanthraquinone

: 117-02-2
rubiadin

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid

: 22170-89-4
1-hydroxy-3-methoxy-2-methyl-9,10-anthraquinone

: 117-02-2
rubiadin

Conditions

Conditions	Yield
With aluminium trichloride at 200℃; durch langsames Erhitzen;
With hydrogen bromide; acetic acid

: 7460-43-7
rubiadin-1-methyl ether

: 117-02-2
rubiadin

Conditions

Conditions	Yield
With sulfuric acid at 150℃; durch kurzes Erhitzen (10 min);

: 28026-96-2
3,5-dihydroxy-4-methylbenzoic acid

: 65-85-0
benzoic acid

: 117-02-2
rubiadin

Conditions

Conditions	Yield
With sulfuric acid at 120℃;
With sulfuric acid at 110 - 120℃;

: 1010-60-2
2-chloro-1,4-naphthoquinone

: 122305-38-8
(Z)-1-Ethoxy-2-methyl-1,3-bis-trimethylsilanyloxy-buta-1,3-diene

: 117-02-2
rubiadin

Conditions

Conditions	Yield
With hydrogenchloride 1.) benzene, r.t., 20-72 h; 2.) THF, r.t., 1-3 h; 3.) reflux, 1-5 h; Multistep reaction;

rubiadin-1-methyl ether: rubiadin-1-methyl ether

: 117-02-2
rubiadin

Conditions

Conditions	Yield
With hydrogenchloride at 140 - 150℃;

: 623-11-0
1-methyl-4-nitrosobenzene

: 7485-42-9
1,2,4-trihydroxy-3-methyl-anthraquinone

SnCl2: SnCl2

: 117-02-2
rubiadin

...Expand

: 6971-52-4
3-methoxy-2-methylphenol

: 117-02-2
rubiadin

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 2: aluminium chloride; carbon disulfide 3: fuming sulfuric acid 4: AlCl3 / 200 °C / durch langsames Erhitzen View Scheme

: 5673-07-4
2,6-dimethoxytoluene

: 117-02-2
rubiadin

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: aluminium chloride; carbon disulfide 2: fuming sulfuric acid 3: AlCl3 / 200 °C / durch langsames Erhitzen View Scheme

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Specification

The 9,10-Anthracenedione,1,3-dihydroxy-2-methyl- is an organic compound with the formula C₁₅H₁₀O₄. The IUPAC name of this chemical is 1,3-dihydroxy-2-methylanthracene-9,10-dione. With the CAS registry number 117-02-2, it is also named as 1,3-Dihydroxy-2-methyl-9,10-anthracenedione. The product's categories are Anthraquinones, Hydroquinones and Quinones.

Physical properties about 9,10-Anthracenedione,1,3-dihydroxy-2-methyl- are: (1)ACD/LogP: 4.44; (2)ACD/LogD (pH 5.5): 4.42; (3)ACD/LogD (pH 7.4): 3.91; (4)ACD/BCF (pH 5.5): 1348.54; (5)ACD/BCF (pH 7.4): 416.01; (6)ACD/KOC (pH 5.5): 6005.77; (7)ACD/KOC (pH 7.4): 1852.72; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 52.6 Å²; (12)Index of Refraction: 1.709; (13)Molar Refractivity: 67.25 cm³; (14)Molar Volume: 172.2 cm³; (15)Polarizability: 26.66×10^-24cm³; (16)Surface Tension: 73.1 dyne/cm; (17)Density: 1.476 g/cm³; (18)Flash Point: 286.6 °C; (19)Enthalpy of Vaporization: 83.17 kJ/mol; (20)Boiling Point: 527.1 °C at 760 mmHg; (21)Vapour Pressure: 1E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)c3c2cc(O)c(c3O)C
(2)InChI: InChI=1/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3
(3)InChIKey: IRZTUXPRIUZXMP-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3
(5)Std. InChIKey: IRZTUXPRIUZXMP-UHFFFAOYSA-N