[ CAS No. 476-60-8 ] {[proInfo.proName]}

Name: 476-60-8|Anthracene-1,4,9,10-tetraol|96%
Brand: Ambeed
SKU: A745983
Price: 6.0 USD
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Quality Control of [ 476-60-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 476-60-8 ]

SDS Specification

Alternatived Products of [ 476-60-8 ]

Product Details of [ 476-60-8 ]

CAS No. :	476-60-8	MDL No. :	MFCD00058948
Formula :	C₁₄H₁₀O₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BKNBVEKCHVXGPH-UHFFFAOYSA-N
M.W :	242.23	Pubchem ID :	68063
Synonyms :

Calculated chemistry of [ 476-60-8 ]

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	14
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	4.0
Num. H-bond donors :	4.0
Molar Refractivity :	69.55
TPSA :	80.92 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.26 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.72
Log Po/w (XLOGP3) :	3.54
Log Po/w (WLOGP) :	2.82
Log Po/w (MLOGP) :	1.6
Log Po/w (SILICOS-IT) :	2.03
Consensus Log Po/w :	2.34

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.15
Solubility :	0.0172 mg/ml ; 0.0000712 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.92
Solubility :	0.00289 mg/ml ; 0.0000119 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-3.46
Solubility :	0.085 mg/ml ; 0.000351 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.24

Safety of [ 476-60-8 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 476-60-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 476-60-8 ]

[ 476-60-8 ] Synthesis Path-Downstream 1~74

1
[ 476-60-8 ]
[ 638-37-9 ]
[ 58976-97-9 ]

Reference： [1]Magnetic Resonance in Chemistry,1993,vol. 31,p. 468 - 471

2
[ 476-60-8 ]
[ 106268-00-2 ]
[ 133364-37-1 ]

Reference： [1]Tetrahedron Letters,1990,vol. 31,p. 7153 - 7156

3
[ 476-60-8 ]
[ 106268-00-2 ]
[ 133364-40-6 ]
[ 133364-36-0 ]

Reference： [1]Tetrahedron Letters,1990,vol. 31,p. 7153 - 7156

4
[ 476-60-8 ]
[ 130353-13-8 ]
[ 130353-25-2 ]

Reference： [1]Journal of Organic Chemistry,1991,vol. 56,p. 405 - 411

5
[ 476-60-8 ]
[ 130353-28-5 ]
[ 130353-26-3 ]

Reference： [1]Journal of Organic Chemistry,1991,vol. 56,p. 405 - 411

6
[ 476-60-8 ]
[ 81841-44-3 ]
[ 132000-22-7 ]
[ 132000-20-5 ]

Reference： [1]Tetrahedron,1992,vol. 48,p. 4885 - 4892

7
[ 476-60-8 ]
[ 81841-44-3 ]
[ 143032-97-7 ]

Reference： [1]Tetrahedron,1992,vol. 48,p. 4885 - 4892

8
[ 476-60-8 ]
[ 93662-54-5 ]
[ 93662-55-6 ]

Reference： [1]Tetrahedron Letters,1984,vol. 25,p. 3975 - 3978
[2]Tetrahedron,1984,vol. 40,p. 4669 - 4676

9
[ 476-60-8 ]
[ 134639-14-8 ]
[ 134639-15-9 ]

Reference： [1]Synthesis,1991,p. 270 - 272

10
[ 476-60-8 ]
(R)-4-Ethyl-tetrahydro-furan-2,4-diol [ No CAS ]
[ 106268-11-5 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 1051 - 1056

11
[ 476-60-8 ]
[ 106268-09-1 ]
[ 106268-12-6 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 1051 - 1056

12
[ 476-60-8 ]
[ 106268-00-2 ]
[ 106268-10-4 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 1051 - 1056

13
[ 476-60-8 ]
[ 95335-09-4 ]
1,4-dihydroxy-2-(2,2'-O-isopropylidene-4,5-di-O-methylthiomethyl-2-hydroxymethyl-pentyl)-9,10-anthraquinone [ No CAS ]

Reference： [1]Tetrahedron,1984,vol. 40,p. 4669 - 4676

14
[ 476-60-8 ]
[ 110561-93-8 ]
[ 78499-70-4 ]

Reference： [1]Angewandte Chemie,1986,vol. 98,p. 788 - 805

15
[ 476-60-8 ]
[ 110561-93-8 ]
[ 88101-00-2 ]

Reference： [1]Angewandte Chemie,1986,vol. 98,p. 788 - 805

16
[ 476-60-8 ]
[ 115860-84-9 ]
[ 115860-89-4 ]

Reference： [1]Liebigs Annalen der Chemie,1988,p. 949 - 954

17
[ 476-60-8 ]
[ 115860-92-9 ]
[ 115860-96-3 ]

Reference： [1]Liebigs Annalen der Chemie,1988,p. 949 - 954

18
[ 81-64-1 ]
[ 476-60-8 ]
[ 17648-03-2 ]

Reference： [1]Journal of Applied Spectroscopy,1990,vol. 53,p. 835 - 840
Zhurnal Prikladnoi Spektroskopii,1990,vol. 53,p. 242 - 247

19
[ 59637-76-2 ]
[ 476-60-8 ]
[ 81-64-1 ]

Reference： [1]Journal of the Chemical Society - Faraday Transactions,1996,vol. 92,p. 4965 - 4968

20
[ 476-60-8 ]
[ 2508-29-4 ]
[ 65271-75-2 ]

Reference： [1]Pharmaceutical Sciences,1996,vol. 2,p. 49 - 53
[2]Pharmacy and Pharmacology Communications,1999,vol. 5,p. 669 - 671

21
[ 81-64-1 ]
[ 476-60-8 ]

Yield	Reaction Conditions	Operation in experiment
92.7%		In a 500ml high pressure reactor, 1,4-dihydroxy anthraquinone sequentially 100g, methanol 380ml, boric acid catalyst 10g, after stirring at room temperature for 5 minutes, replaced with nitrogen 5 times, at the same time, observe whether the autoclave is leaking. Warming up, hydrogen intake valve opening, The reaction temperature is at 65 C. the pressure in the kettle was kept at 0.45 MPa for 5 h. adjust the hydrogen intake valve, Keep the pressure in the kettle up to 0.79 MPa for 1 h.Cool down to 40 C, replaced with nitrogen three times, discharge filtration, After the reaction is over, filtration, washing, drying gave 93.45 g of the desired product. The yield was 92.7% and the purity was 95.60%.

Reference： [1]Patent: CN108440250,2018,A .Location in patent: Paragraph 0015-0020
[2]Tetrahedron,2008,vol. 64,p. 3168 - 3175
[3]Pharmaceutical Sciences,1996,vol. 2,p. 49 - 53
[4]Pharmacy and Pharmacology Communications,1999,vol. 5,p. 669 - 671

24
[ 476-60-8 ]
[ 3279-26-3 ]
anthracene-1,4,9,10-tetrayl bis(methylphosphite) [ No CAS ]

Reference： [1]Russian Journal of General Chemistry,2000,vol. 70,p. 1363 - 1367

25
[ 476-60-8 ]
[ 1498-42-6 ]
anthracene-1,4,9,10-tetrayl bis(ethylphosphite) [ No CAS ]

Reference： [1]Russian Journal of General Chemistry,2000,vol. 70,p. 1363 - 1367

26
[ 476-60-8 ]
[ 683-85-2 ]
[ 345995-68-8 ]

Reference： [1]Russian Journal of General Chemistry,2000,vol. 70,p. 1363 - 1367

27
[ 476-60-8 ]
[ 1069-08-5 ]
[ 345995-69-9 ]

Reference： [1]Russian Journal of General Chemistry,2000,vol. 70,p. 1363 - 1367

28
[ 476-60-8 ]
[ 2283-11-6 ]
[ 345995-69-9 ]

Reference： [1]Russian Journal of General Chemistry,2000,vol. 70,p. 1363 - 1367

29
[ 476-60-8 ]
[ 1608-26-0 ]
[ 345995-68-8 ]

Reference： [1]Russian Journal of General Chemistry,2000,vol. 70,p. 1363 - 1367

30
[ 476-60-8 ]
O,O,O,O-anthracene-1,4,9,10-tetrayl bis(dimethylphosphoramidate) [ No CAS ]

Reference： [1]Russian Journal of General Chemistry,2000,vol. 70,p. 1363 - 1367
[2]Russian Journal of General Chemistry,2000,vol. 70,p. 1363 - 1367

31
[ 476-60-8 ]
anthracene-1,4,9,10-tetrayl bis(diethylphosphoramidate) [ No CAS ]

Reference： [1]Russian Journal of General Chemistry,2000,vol. 70,p. 1363 - 1367
[2]Russian Journal of General Chemistry,2000,vol. 70,p. 1363 - 1367

32
[ 476-60-8 ]
O,O,O,O-anthracene-1,4,9,10-tetrayl bis(diethylphosphoramidothioate) [ No CAS ]

Reference： [1]Russian Journal of General Chemistry,2000,vol. 70,p. 1363 - 1367
[2]Russian Journal of General Chemistry,2000,vol. 70,p. 1363 - 1367

33
[ 476-60-8 ]
1,4-(dihydroxypentylamino)anthracene-9,10-dione tetrahydropyran derivative [ No CAS ]

Reference： [1]Pharmaceutical Sciences,1996,vol. 2,p. 49 - 53

34
[ 476-60-8 ]
[ 106356-40-5 ]

Reference： [1]Liebigs Annalen der Chemie,1988,p. 949 - 954

35
[ 476-60-8 ]
[ 115938-53-9 ]

Reference： [1]Liebigs Annalen der Chemie,1988,p. 949 - 954

36
[ 476-60-8 ]
[ 115938-52-8 ]

Reference： [1]Liebigs Annalen der Chemie,1988,p. 949 - 954

37
[ 476-60-8 ]
[ 115938-50-6 ]

Reference： [1]Liebigs Annalen der Chemie,1988,p. 949 - 954

38
[ 476-60-8 ]
[ 95335-16-3 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 1051 - 1056
[2]Tetrahedron,1984,vol. 40,p. 4669 - 4676
[3]Tetrahedron,1984,vol. 40,p. 4669 - 4676

39
[ 476-60-8 ]
[ 91593-24-7 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 1051 - 1056
[2]Tetrahedron,1984,vol. 40,p. 4669 - 4676

40
[ 476-60-8 ]
[ 106268-13-7 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 1051 - 1056

41
[ 476-60-8 ]
[ 95335-13-0 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 1051 - 1056
[2]Tetrahedron,1984,vol. 40,p. 4669 - 4676
[3]Tetrahedron,1984,vol. 40,p. 4669 - 4676

42
[ 476-60-8 ]
[ 93662-57-8 ]

Reference： [1]Tetrahedron,1984,vol. 40,p. 4669 - 4676

43
[ 476-60-8 ]
[ 93662-56-7 ]

Reference： [1]Tetrahedron,1984,vol. 40,p. 4669 - 4676

44
[ 476-60-8 ]
[ 93662-58-9 ]

Reference： [1]Tetrahedron,1984,vol. 40,p. 4669 - 4676

45
[ 476-60-8 ]
[ 93662-59-0 ]

Reference： [1]Tetrahedron,1984,vol. 40,p. 4669 - 4676

46
[ 476-60-8 ]
[ 95335-10-7 ]

Reference： [1]Tetrahedron,1984,vol. 40,p. 4669 - 4676
[2]Tetrahedron,1984,vol. 40,p. 4669 - 4676

47
[ 476-60-8 ]
[ 78548-50-2 ]

Reference： [1]Synthesis,1991,p. 270 - 272

48
[ 476-60-8 ]
[ 134639-16-0 ]

Reference： [1]Synthesis,1991,p. 270 - 272

49
[ 476-60-8 ]
[ 134774-69-9 ]

Reference： [1]Synthesis,1991,p. 270 - 272

50
[ 476-60-8 ]
[ 110612-76-5 ]

Reference： [1]Synthesis,1991,p. 270 - 272

51
[ 476-60-8 ]
[ 134639-17-1 ]

Reference： [1]Synthesis,1991,p. 270 - 272

52
[ 476-60-8 ]
[ 134774-70-2 ]

Reference： [1]Synthesis,1991,p. 270 - 272

53
[ 476-60-8 ]
(4S,5S)-5-[(1,4-Dihydroxy-9,10-dioxo-9,10-dihydro-anthracen-2-yl)-hydroxy-methyl]-2,2,5-trimethyl-[1,3]dioxolane-4-carbaldehyde [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1991,vol. 56,p. 405 - 411

54
[ 476-60-8 ]
[ 133364-40-6 ]

Reference： [1]Tetrahedron Letters,1990,vol. 31,p. 7153 - 7156

55
[ 476-60-8 ]
[ 133364-36-0 ]

Reference： [1]Tetrahedron Letters,1990,vol. 31,p. 7153 - 7156

56
[ 476-60-8 ]
[ 133364-38-2 ]

Reference： [1]Tetrahedron Letters,1990,vol. 31,p. 7153 - 7156
[2]Tetrahedron Letters,1990,vol. 31,p. 7153 - 7156

57
[ 476-60-8 ]
[ 133364-38-2 ]

Reference： [1]Tetrahedron Letters,1990,vol. 31,p. 7153 - 7156
[2]Tetrahedron Letters,1990,vol. 31,p. 7153 - 7156

58
[ 476-60-8 ]
[ 141-43-5 ]
[ 27343-67-5 ]

Reference： [1]Tetrahedron,2008,vol. 64,p. 3168 - 3175

59
[ 476-60-8 ]
[ 107-15-3 ]
[ 19853-94-2 ]

Reference： [1]Tetrahedron,2008,vol. 64,p. 3168 - 3175

60
[ 476-60-8 ]
[ 108-00-9 ]
C₂₂H₃₀N₄O₂ [ No CAS ]

Reference： [1]Tetrahedron,2008,vol. 64,p. 3168 - 3175

61
[ 476-60-8 ]
[ 1422391-81-8 ]

Reference： [1]ACS Medicinal Chemistry Letters,2013,vol. 4,p. 323 - 328

62
[ 476-60-8 ]
[ 1422391-82-9 ]

Reference： [1]ACS Medicinal Chemistry Letters,2013,vol. 4,p. 323 - 328

63
[ 476-60-8 ]
[ 1422391-80-7 ]

Reference： [1]ACS Medicinal Chemistry Letters,2013,vol. 4,p. 323 - 328

64
[ 50-00-0 ]
[ 476-60-8 ]
[ 124-41-4 ]
[ 69414-61-5 ]

Reference： [1]ACS Medicinal Chemistry Letters,2013,vol. 4,p. 323 - 328

65
[ 476-60-8 ]
C₃₈H₃₇N₃O₅ [ No CAS ]

Reference： [1]Patent: WO2015/192324,2015,A1

66
[ 476-60-8 ]
1-((4-hydroxy-2,6-dimethylphenyl)amino)-4-(trimethylphenylamino)anthraquinone [ No CAS ]

Reference： [1]Patent: WO2015/192324,2015,A1
[2]Patent: TW2016/2076,2016,A
[3]Patent: TW2016/4241,2016,A

67
[ 476-60-8 ]
[ 3096-70-6 ]
1-hydroxy-4-(2’,6’-dimethyl-4’-hydroxyanilino)anthraquinone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
20%	With boric acid; In butan-1-ol; at 115℃; for 25h;Inert atmosphere;	A mixture of 2.4 g (9.91 mmol) of 1,4,9.10-tetrahydroxylanthracene, 1.36 g (1equiv.) of 2,6-dimethyl-4-hydroxylaniline, 1.0 g (16.2mmol) of boric acid and12 mL of n-butanol was refluxed at normal pressure for 25 hours in an oil bath at115 C under N2. The reaction mixture was cooled to room temperature and 1mL of 6N HC1 solution was added while stirring. The mixture was crystallizedin ice-bath and filtered. The crude solid product was washed with water anddried under dynamic vacuum. Finally 7 12mg of the pure product was obtainedby column chromatography on silica using methylene chloride as eluent. Yield:20%. ?H NIVIR (CDC13, ppm): 13.65 (s, 1H), 11.15 (s, 1H), 8.33 (m, 2H), 7.74(m, 2H), 7.05 (d, 1H), 6.67 (d, 1H), 6.59 (s, 2H), 4.79 (br, 1H), 2.07 (s, 6H)
20%	With boric acid; In butan-1-ol; at 115℃; for 25h;Inert atmosphere;	A mixture of 2.4 g (9 · 91 mmol) of <strong>[476-60-8]1,4,9.10-tetrahydroxyanthracene</strong>, 1.36 g (1 equivalent) of 2,6-dimethyl-4-hydroxyaniline, 1.0 g of boric acid and 12 mL of n-butanol was under reflux at 115 C under normal pressure in an oil bath for 25 hours. The reaction mixture was cooled to room temperature and a solution of 1 mL of 6N hydrochloric acid was added thereto while stirring. The main product was crystallized in an ice bath and filtered. The crude product was washed with water and dried. Finally, a pure product was obtained by column chromatography on silica using methylene chloride as a eluent. Yield: 20%. (M, 2 H), 7.05 (d, 1 H), 6.67 (d, 1 h), 11.5 (s, 6.59 (s, 2), 4.79 (br, 1), 2.07 (s, 6 Hz)

Reference： [1]Patent: WO2015/192324,2015,A1 .Location in patent: Paragraph 0062
[2]Patent: TW2016/2076,2016,A .Location in patent: Paragraph 0069

68
[ 476-60-8 ]
C₅₂H₅₂N₂O₇ [ No CAS ]

Reference： [1]Patent: TW2016/2076,2016,A

69
[ 476-60-8 ]
C₃₉H₃₉N₃O₄ [ No CAS ]

Reference： [1]Patent: TW2016/4241,2016,A

70
[ 476-60-8 ]
[ 3096-70-6 ]
1-hydroxy-4-(2,6-dimethyl-4-hydroxyphenylamino)anthraquinone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
20%	In butan-1-ol; at 115℃; under 760.051 Torr; for 25h;Inert atmosphere;	A total of 2.4 g (9 · 91 mmol) of 1,4,9.10 ? tetrahydroxyanthracene,1 · 36 g (1 equivalent) of 2,6-dimethyl-4-hydroxyaniline,1.0 g (16.2 mmol) of the mixture of acid and 12 mL of n-butanol at under 115 CUnder reflux in an oil bath at atmospheric pressure25 hours.The reaction mixture was cooled to room temperature and 1 mL of 6 nu HC1 solution was added with stirring.The mixture was crystallized in an ice bath and filtered.The crude solid product was washed with water and dried under dynamic vacuum.finally,The use of dichloromethane was carried out by silica gel column chromatography712 mg of pure product was obtained as eluent. Yield: 20%.

Reference： [1]Patent: TW2016/4241,2016,A .Location in patent: Paragraph 0059

71
[ 476-60-8 ]
[ 54574-82-2 ]
C₃₆H₃₃NO₆ [ No CAS ]

Reference： [1]Chemical Communications,2018,vol. 54,p. 8339 - 8342

72
[ 476-60-8 ]
[ 54574-82-2 ]
C₃₆H₃₄NO₆⁽¹⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
68%	With methanesulfonic acid; at 85℃; for 12h;	1) 2-(4-Dibutylamino-2-hydroxybenzoyl)benzoic acid (0.369 g, 1.0 mmol) and 1,4,9,10-tetrahydroxy-indole (0.264 g, 1.2 mmol) were added to 5 mL. Stirring in methanesulfonic acid, heating at 85 C, 12 h. 2) Add 200 mL of ice water to the product solution after the reaction, and then add an appropriate amount of NaHCO3 solid to neutralize the product solution to make pH=7.The organic phase is then extracted with dichloro-chloride and dried over anhydrous Na 2 SO 4 and filtered.The obtained crude solid product was subjected to chromatography on silica gel eluting with methylene chloride and petroleum ether to afford a blue solid powder intermediate ZR 0.415 g, yield 68%.

Reference： [1]Patent: CN108623551,2018,A .Location in patent: Paragraph 0018; 0029; 0030; 0031

73
[ 476-60-8 ]
[ 81-64-1 ]
[ 122-80-5 ]
C₂₂H₁₆N₂O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
97.13%		General procedure: (a) In a four-necked flask, 30 ml of hot water and 20 g of 30% hydrochloric acid were sequentially added.30g of p-aminoacetoanilide, heat up and stir, and maintain the temperature at 40 50 for 30minTo fully dissolve p-aminoacetanilide to obtain a first mixed solution;(b) In another four-necked flask, add 80 ml of water and 28 g of 1,4-dihydroxyanthraquinone,1,4-dihydroxyanthraquinone leuco 8g,Catalyst CJ 0.8g,Obtaining a second mixed solution;(c) The second mixed solution is heated and stirred to 85-90 C, and the first mixed solution is added dropwise thereto. After the dropwise addition is completed in 3 to 4 hours, the temperature is maintained for 12 hours. The temperature is lowered and the reaction endpoint is detected by HPLC. Hot filtration was performed, and the filtered solid was washed with neutral water to neutrality. The obtained solid was dried to obtain 53.6 g of navy blue solvent blue 122 powder with a content of 94.64% and a yield of 96.0%.

Reference： [1]Patent: CN110499039,2019,A .Location in patent: Paragraph 0027-0047

74
[ 476-60-8 ]
[ 81-64-1 ]
[ 106-49-0 ]
[ 81-48-1 ]

Yield	Reaction Conditions	Operation in experiment
91.2%	With N-n-butyl-N'-ethylimidazolium chloride; at 80 - 100℃;Large scale;	(b) The ionic liquid is heated to 80 C, and then added to the high-pressure reaction vessel.820 kg of 1,4-dihydroxyanthraquinone, 142 kg of 1,4-dihydroxyanthraquinone leuco, and 430 kg of p-methylaniline, the reaction mixture was heated to 100 C to obtain a first mixed solution;(c) The first mixed solution is cooled to 45 C, the valve of the high-pressure reaction vessel is opened, and the material is discharged into a filter tank, and suction filtration is performed to obtain a filter cake and a filtrate. The filter cake is washed with hot water having a temperature of 95 C to obtain a foaming solution. The washing liquid and the filtrate are combined and distilled to obtain a second mixed solution; the washed cake is then post-processed, and the cake is washed with hot water at 90 C to neutrality, and then dried,Smash,1189 kg of finished product of solvent violet 13 was obtained in a package; the yield was 90.2%, the HPLC content was 95.63%, ? E 0.316, ? C 0.207 was bright, and the pressure value was 0.34.;This embodiment provides a method for synthesizing low-toxicity, low-toxicity and environmental-friendly solvent violet 13. It is basically the same as in Example 1. The difference is that 534 kg of ethyl chloride is added, and the solvent violet 13 is finally dried, crushed, and packaged. The finished product is 1202 kg; the yield is 91.2%, the HPLC content is 95.47%, ? E is 0.457, ? C is 0.318, and the pressure value is 0.37.

Reference： [1]Patent: CN110591407,2019,A .Location in patent: Paragraph 0028; 0031-0052

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Prevention
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P202	Do not handle until all safety precautions have been read and understood.
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P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 476-60-8 ] {[proInfo.proName]}

Quality Control of [ 476-60-8 ]

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Product Details of [ 476-60-8 ]

Calculated chemistry of [ 476-60-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 476-60-8 ]

Application In Synthesis of [ 476-60-8 ]

[ 476-60-8 ] Synthesis Path-Downstream 1~74

Related Functional Groups of [ 476-60-8 ]

Aryls

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 476-60-8 ]