[ CAS No. 6393-01-7 ]

Name: 6393-01-7|2,5-Dimethyl-1,4-phenylenediamine|95%
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Quality Control of [ 6393-01-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 6393-01-7 ]

SDS Specification

Alternatived Products of [ 6393-01-7 ]

Product Details of [ 6393-01-7 ]

CAS No. :	6393-01-7	MDL No. :	MFCD00052675
Formula :	C₈H₁₂N₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BWAPJIHJXDYDPW-UHFFFAOYSA-N
M.W :	136.19	Pubchem ID :	160824
Synonyms :

Calculated chemistry of [ 6393-01-7 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.25
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	2.0
Molar Refractivity :	45.18
TPSA :	52.04 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.21 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.44
Log Po/w (XLOGP3) :	1.29
Log Po/w (WLOGP) :	1.48
Log Po/w (MLOGP) :	1.48
Log Po/w (SILICOS-IT) :	1.31
Consensus Log Po/w :	1.4

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.94
Solubility :	1.56 mg/ml ; 0.0115 mol/l
Class :	Very soluble
Log S (Ali) :	-1.98
Solubility :	1.42 mg/ml ; 0.0104 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.42
Solubility :	0.514 mg/ml ; 0.00378 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.0

Safety of [ 6393-01-7 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302+H312+H332-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 6393-01-7 ]

* 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 [ 6393-01-7 ]

[ 6393-01-7 ] Synthesis Path-Downstream 1~68

1
[ 75-44-5 ]
[ 6393-01-7 ]
[ 76806-38-7 ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,1999,p. 2705 - 2723
[2]Justus Liebigs Annalen der Chemie,1949,vol. 562,p. 75,1114

2
[ 53877-41-1 ]
[ 6393-01-7 ]

Reference： [1]Chemische Berichte,1880,vol. 13,p. 472
Justus Liebigs Annalen der Chemie,1882,vol. 215,p. 168
[2]Chemische Berichte,1885,vol. 18,p. 2677,2681

3
[ 36164-92-8 ]
[ 6393-01-7 ]

Reference： [1]Chemische Berichte,1887,vol. 20,p. 979

4
[ 872277-83-3 ]
[ 6393-01-7 ]

Reference： [1]Helvetica Chimica Acta,1938,vol. 21,p. 1579,1605

5
[ 3460-29-5 ]
[ 6393-01-7 ]

Reference： [1]Journal of the American Chemical Society,1934,vol. 56,p. 2089,2090
[2]Journal of the American Chemical Society,1950,vol. 72,p. 4601,4605
[3]Journal of Medicinal Chemistry,2015,vol. 58,p. 6410 - 6421

6
[ 6393-01-7 ]
4-anilino-[1,2]naphthoquinone-1-imine [ No CAS ]
4-anilino-[1,2]naphthoquinone-1-(8,11-dimethyl-5-phenylimino-5H-benzo[a]phenoxazin-9-ylimine) [ No CAS ]

Reference： [1]Bulletin de la Societe Chimique de France,1959,p. 510,512

7
[ 6393-01-7 ]
[ 137-18-8 ]

Reference： [1]Chemische Berichte,1885,vol. 18,p. 2667
[2]Chemische Berichte,1880,vol. 13,p. 472
Justus Liebigs Annalen der Chemie,1882,vol. 215,p. 168

8
[ 6393-01-7 ]
[ 103230-60-0 ]

Reference： [1]Chemische Berichte,1902,vol. 35,p. 641
[2]Tetrahedron Letters,2001,vol. 42,p. 8653 - 8656

9
[ 136-21-0 ]
[ 6393-01-7 ]

Reference： [1]Chemische Berichte,1885,vol. 18,p. 2677,2681

10
[ 6393-01-7 ]
[ 98-88-4 ]
N,N'-(2,5-dimethyl-p-phenylene)-bis-benzamide [ No CAS ]

Reference： [1]Industrial and Engineering Chemistry, Analytical Edition,1944,vol. 16,p. 755

11
[ 6374-26-1 ]
[ 6393-01-7 ]
[ 69950-87-4 ]

Reference： [1]Patent: US4137310,1979,A

12
[ 99069-08-6 ]
[ 6393-01-7 ]

Reference： [1]Helvetica Chimica Acta,1961,vol. 44,p. 367 - 379

13
[ 6393-01-7 ]
[ 556-61-6 ]
[ 16349-71-6 ]

Reference： [1]Journal of the Chemical Society C: Organic,1967,p. 2212 - 2220

14
[ 6393-01-7 ]
[ 95-92-1 ]
[ 24200-32-6 ]

Reference： [1]Patent: FR1567434,1969,
Chem.Abstr.,1969,vol. 71

15
[ 506-68-3 ]
[ 6393-01-7 ]
[ 98515-30-1 ]

Reference： [1]Liebigs Annalen der Chemie,1986,p. 142 - 164

16
[ 6393-01-7 ]
[ 1147550-11-5 ]
[ 105381-48-4 ]

Reference： [1]Liebigs Annalen der Chemie,1986,p. 142 - 164

17
[ 6393-01-7 ]
[ 931-59-9 ]
C₂₀H₁₈N₂S₂ [ No CAS ]

Reference： [1]Journal of Chemical Research, Miniprint,1982,p. 1601 - 1617

18
[ 6393-01-7 ]
[ 712-32-3 ]

Reference： [1]Tetrahedron Letters,1995,vol. 36,p. 4369 - 4372

19
[ 6393-01-7 ]
C₈H₈N₄⁽²⁺⁾ [ No CAS ]

Reference： [1]Tetrahedron Letters,1995,vol. 36,p. 4369 - 4372

20
[ 6393-01-7 ]
[ 26231-78-7 ]
2,5-Dimethyl-N,N'-bis-[1-[5-((E)-2-thiophen-2-yl-vinyl)-thiophen-2-yl]-meth-(E)-ylidene]-benzene-1,4-diamine [ No CAS ]

Reference： [1]Journal of Chemical Research, Miniprint,1998,p. 2966 - 2987

21
[ 6393-01-7 ]
5-((E)-2-Furan-2-yl-vinyl)-thiophene-2-carbaldehyde [ No CAS ]
N,N'-Bis-[1-[5-((E)-2-furan-2-yl-vinyl)-thiophen-2-yl]-meth-(E)-ylidene]-2,5-dimethyl-benzene-1,4-diamine [ No CAS ]

Reference： [1]Journal of Chemical Research, Miniprint,1998,p. 2966 - 2987

23
[ 7647-01-0 ]
[ 53877-41-1 ]
tin [ No CAS ]
[ 95-78-3 ]
[ 6393-01-7 ]

Reference： [1]Chemische Berichte,1885,vol. 18,p. 2677,2681

Yield	Reaction Conditions	Operation in experiment
		Nonlimiting examples of suitable aromatic diamines, aminophenols, polyhydric phenols and derivatives thereof, respectively, are the following compounds: ... 2-(4-methylphenyl)-p-phenylenediamine, 2-(2,5-diaminophenyl)-5-methylbenzoic acid, 2-methoxy-p-phenylenediamine, 2,3-dimethyl-p-phenylenediamine, 2,5-dimethyl-p-phenylenediamine, 2-methyl-5-methoxy-p-phenylenediamine, 2,6-methyl-5-methoxy-p-phenylenediamine, 3-methyl-4-amino-N,N-diethylaniline, ...
		Nonlimiting examples of suitable aromatic diamines, aminophenols, polyhydric phenols and derivatives thereof, respectively, are the following compounds: ... 2-(4-methylphenyl)-p-phenylenediamine, 2-(2,5-diaminophenyl)-5-methylbenzoic acid, 2-methoxy-p-phenylenediamine, 2,3-dimethyl-p-phenylenediamine, 2,5-dimethyl-p-phenylenediamine, 2-methyl-5-methoxy-p-phenylenediamine, 2,6-methyl-5-methoxy-p-phenylenediamine, 3-methyl-4-amino-N, N-diethylaniline, ...
		The process of claim 3 wherein said compound of formula (II) is selected from the group consisting of ... 2-methyl-p-phenylenediamine, methoxy-para-phenylenediamine, chloro-para-phenylenediamine, 2,6-dimethyl-para-phenylenediamine, 2,5-dimethyl-para-phenylenediamine, 2,3-dimethyl-para-phenylenediamine, 2,6-diethyl-para-phenylenediamine, 2-methyl-5-methoxy-para-phenylenediamine, ...

		In addition to these preferred compounds the compounds of formula (II) which are more particularly preferred are chosen from: 2,6-dimethyl-1,4-diaminobenzene 2,5-dimethyl-1,4-diaminobenzene 2,3-dimethyl-1,4-diaminobenzene 2-methoxy-5-methyl-1,4-diaminobenzene 2-methoxy-5-methyl-4-beta-aminoethylamino-1-aminobenzene 2-methyl-5-chloro-4-beta-aminoethylamino-1-aminobenzene 4,6-dimethoxy-1,3-diaminobenzene 2,3-dimethyl-4-aminophenol 2,6-dimethyl-4-aminophenol, and ...
		The process of claim 1 wherein the compound of formula (II) is selected from the group consisting of 2,6-dimethyl-1,4-diaminobenzene, 2,5-dimethyl-1,4-diaminobenzene, 2,3-dimethyl-1,4-diaminobenzene, 2-methoxy-5-methyl-1,4-diaminobenzene, 2-methoxy-5-methyl-4-beta-aminoethylamino-1-aminobenzene, 2-methyl-5-chloro-4-beta-aminoethylamino-1-aminobenzene, 4,6-dimethoxy-1,3-diaminobenzene, 2,3-dimethyl-4-aminophenol, 2,6-dimethyl-4-aminophenol and ...
		The following compounds with formula (IV) may in particular be cited: ... chloroparaphenylenediamine, 2,3-dimethylparaphenylenediamine, 2,6-dimethylparaphenylenediamine, 2,6-diethylparaphenylenediamine, 2,5-dimethylparaphenylenediamine, 2,6-dimethyl 5-methoxyparaphenylenediamine, N,N-dimethylparaphenylenediamine, N,N-diethylparaphenylenediamine, ...
		The method of claim 4 wherein said para-phenylenediamine is selected from the group consisting of ... 2-methyl-p-phenylenediamine, methoxy-para-phenylenediamine, chloro-para-phenylenediamine, 2,6-dimethyl-para-phenylenediamine, 2,5-dimethyl-para-phenylenediamine, 2,3-dimethyl-para-phenylenediamine, 2-methyl-5-methoxy-para-phenylenediamine, 2,6-dimethyl-5-methoxy-para-phenyldiamine, ...
		methylamine, ... 1,4-diamino-2-methylbenzene, 1,4-diamino-2-methoxybenzene, 1,4-diamino-2-ethoxybenzene, 1,4-diamino-2-chlorobenzene, 1,4-diamino-2,5-dimethylbenzene, 1,4-diamino-2,5-diethylbenzene, 1,4-diamino-2-methyl-5-methoxybenzene, 1,4-diamino-2,5-dimethoxybenzene, ...
		Representative paraphenylenediamines usefully employed as the oxidation base in the present invention include paraphenylenediamine, paratoluylenediamine, methoxyparaphenylenediamine, chloroparaphenylenediamine, 2,6-dimethyl paraphenylenediamine, 2,5-dimethylparaphenylenediamine, 2-methyl-5-methoxy paraphenylenediamine, 2,6-dimethyl-5-methoxy paraphenylenediamine, N,n-dimethyl paraphenylenediamine, 3-methyl-4-amino-N,N-diethylaniline, N,n-di-(beta-hydroxyethyl) paraphenylenediamine, 3-methyl-4-amino-N,N-di-(beta-hydroxyethyl) aniline, 3-chloro-4-amino-N,N-di-(beta-hydroxyethyl) aniline, 4-amino-N,N-(ethyl, carbamylmethyl) aniline, 3-methyl-4-amino-N,N-(ethyl, carbamylmethyl) aniline, ...
		, characterized in that the developer is selected from the group consisting of 1,4-diaminobenzene; 1,4-diamino-2-methylbenzene; 1,4-diamino-2,6-dimethylbenzene; 1,4-diamino-3,5-diethylbenzene; 1,4-diamino-2,5-dimethylbenzene; 1,4-diamino-2,3-dimethylbenzene; 2-chloro-1,4-diaminobenzene; 1,4-diamino-2-(thiophen-2-yl)benzene; 1,4-diamino-2-(thiophen-3-yl)benzene; ...
		Nonlimiting examples of suitable aromatic diamines, aminophenols, naphthols, polyhydric phenols and derivatives thereof, respectively, are the following compounds: ... 2-(4-methylphenyl)-p-phenylenediamine, 2-(2,5-diaminophenyl)-5-methylbenzoic acid, 2-methoxy-p-phenylenediamine, 2,3-dimethyl-p-phenylenediamine, 2,5-dimethyl-p-phenylenediamine, 2-methyl-5-methoxy-p-phenylenediamine, 2,6-methyl-5-methoxy-p-phenylenediamine, 3-methyl-4-amino-N,N-diethylaniline, ...

25
5-nitro-2-amino-xylene [ No CAS ]
[ 6393-01-7 ]

Reference： [1]Chemische Berichte,1890,vol. 23,p. 1021
[2]Chemische Berichte,1902,vol. 35,p. 641

26
[ 95-78-3 ]
diazonium salt from sulfanilic acid [ No CAS ]
[ 6393-01-7 ]

Reference： [1]Journal of the American Chemical Society,1939,vol. 61,p. 1981,1989

27
[ 7647-01-0 ]
[ 36164-92-8 ]
tin [ No CAS ]
[ 6393-01-7 ]

Reference： [1]Chemische Berichte,1887,vol. 20,p. 979

28
[ 7647-01-0 ]
[ 872277-83-3 ]
zinc-powder [ No CAS ]
[ 6393-01-7 ]

Reference： [1]Helvetica Chimica Acta,1938,vol. 21,p. 1579,1605

29
[ 861309-25-3 ]
[ 10034-85-2 ]
[ 64-19-7 ]
[ 6393-01-7 ]

Reference： [1]Justus Liebigs Annalen der Chemie,1922,vol. 429,p. 54
Chemische Berichte,1922,vol. 55,p. 1528

30
[ 7647-01-0 ]
[ 136-21-0 ]
tin [ No CAS ]
[ 6393-01-7 ]
[ 95-68-1 ]

Reference： [1]Chemische Berichte,1880,vol. 13,p. 472
Justus Liebigs Annalen der Chemie,1882,vol. 215,p. 168

31
[ 15568-85-1 ]
[ 6393-01-7 ]
[ 503864-14-0 ]

Reference： [1]Tetrahedron,2002,vol. 58,p. 9095 - 9100

32
[ 119-61-9 ]
[ 6393-01-7 ]
N,N'-dibenzhydrylidene-2,5-dimethyl-benzene-1,4-diamine [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2003,vol. 125,p. 9988 - 9997

33
[ 100-97-0 ]
[ 6393-01-7 ]
[ 106-49-0 ]
[ 529-81-7 ]
C₂₈H₃₀N₄ [ No CAS ]
C₃₉H₄₂N₆ [ No CAS ]

Reference： [1]Organic Letters,2005,vol. 7,p. 67 - 70

34
[ 851875-39-3 ]
[ 6393-01-7 ]
[4-({4-[2-(4-tert-butoxyoxalyl-phenoxy)-acetylamino]-2,5-dimethyl-phenylcarbamoyl}-methoxy)-phenyl]-oxo-acetic acid tert-butyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2005,vol. 13,p. 2981 - 2991

35
[ 81-84-5 ]
[ 6393-01-7 ]
N-(2,5-dimethyl-4-aminophenyl)-naphthalene-1,8-dicarboximide [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2000,vol. 122,p. 7802 - 7810

36
[ 960148-25-8 ]
[ 6393-01-7 ]
C₁₅H₂₂N₄OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In N,N-dimethyl acetamide; at 20℃;	Preparation of E-2a:1.1 eq of a dioxane solution of 2-isothiocyanato-l-pyrrolidin-l-yl-ethanone are added to E-Ia (100 mg, 0.71 mmol) in 0.5 mL DMA and the mixture is stirred at RT until the reaction is complete. Then 2 eq 2-isothiocyanato-l-(4-methyl-piperazin-l-yl)-ethanone are added in the form of a solution in dioxane and the mixture is stirred again at RT. After the reaction has ended the volatile constituents are removed and the product is isolated by chromatography. (HPLC tRet = 0.0 min; MS [M+H]+: m/z = 506)

Reference： [1]Patent: WO2007/144370,2007,A1 .Location in patent: Page/Page column 89

37
[ 6393-01-7 ]
[ 26863-15-0 ]
C₁₉H₁₉N₂⁽¹⁺⁾*Cl^(1-) [ No CAS ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 7778 - 7781

38
[ 6393-01-7 ]
[ 71190-35-7 ]
C₁₈H₁₈N₃⁽¹⁺⁾*Cl^(1-) [ No CAS ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 7778 - 7781

39
N-(2,4-dinitrophenyl)-4-(9-anthrylvinylene)pyridinium chloride [ No CAS ]
[ 6393-01-7 ]
C₂₉H₂₅N₂⁽¹⁺⁾*Cl^(1-) [ No CAS ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 7778 - 7781

40
[ 6393-01-7 ]
C₂₂H₂₂N₂ [ No CAS ]

Reference： [1]Tetrahedron Letters,2001,vol. 42,p. 8653 - 8656

41
[ 6393-01-7 ]
C₂₂H₂₂N₂ [ No CAS ]

Reference： [1]Tetrahedron Letters,2001,vol. 42,p. 8653 - 8656

42
[ 6393-01-7 ]
1,4-Dimethyl-3,6-bis-[(E)-naphthalen-1-ylimino]-cyclohexa-1,4-diene [ No CAS ]

Reference： [1]Tetrahedron Letters,2001,vol. 42,p. 8653 - 8656

43
[ 6393-01-7 ]
2-[4-(1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-2,5-dimethyl-phenyl]-7-octyl-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2000,vol. 122,p. 7802 - 7810

44
[ 6393-01-7 ]
[ 98515-30-1 ]

Reference： [1]Liebigs Annalen der Chemie,1986,p. 142 - 164

45
[ 6393-01-7 ]
[ 90508-36-4 ]

Reference： [1]Liebigs Annalen der Chemie,1986,p. 142 - 164
[2]Liebigs Annalen der Chemie,1986,p. 142 - 164

46
[ 137-18-8 ]
[ 6393-01-7 ]

Reference： [1]Chemische Berichte,1887,vol. 20,p. 979

47
[ 95-78-3 ]
[ 6393-01-7 ]

Reference： [1]Chemische Berichte,1885,vol. 18,p. 2677,2681
[2]Helvetica Chimica Acta,1938,vol. 21,p. 1579,1605

48
[ 6954-69-4 ]
[ 6393-01-7 ]

Reference： [1]Journal of the American Chemical Society,1934,vol. 56,p. 2089,2090

49
[ 2050-44-4 ]
[ 6393-01-7 ]

Reference： [1]Journal of the American Chemical Society,1934,vol. 56,p. 2089,2090

50
[ 6393-01-7 ]
2,5,2',5'-tetramethyl-1,1'-(2,5-dimethyl-p-phenylene)-bis-pyrrole-3-carboxylic acid [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1934,vol. 56,p. 2089,2090
[2]Journal of the American Chemical Society,1934,vol. 56,p. 2089,2090

51
[ 6393-01-7 ]
[ 16351-66-9 ]

Reference： [1]Journal of the Chemical Society C: Organic,1967,p. 2212 - 2220

52
[ 6298-72-2 ]
[ 6393-01-7 ]

Reference： [1]Helvetica Chimica Acta,1961,vol. 44,p. 367 - 379

53
[ 103905-76-6 ]
[ 6393-01-7 ]

Reference： [1]Helvetica Chimica Acta,1961,vol. 44,p. 367 - 379

54
[ 99361-75-8 ]
[ 6393-01-7 ]

Reference： [1]Helvetica Chimica Acta,1961,vol. 44,p. 367 - 379

55
[ 100143-87-1 ]
[ 6393-01-7 ]

Reference： [1]Helvetica Chimica Acta,1961,vol. 44,p. 367 - 379

56
[ 100254-82-8 ]
[ 6393-01-7 ]

Reference： [1]Helvetica Chimica Acta,1961,vol. 44,p. 367 - 379

57
[ 6393-01-7 ]
[ 598-21-0 ]
C₁₂H₁₄Br₂N₂O₂ [ No CAS ]

Reference： [1]Patent: EP1215205,2002,A1 .Location in patent: Page 28

58
[ 2091-51-2 ]
[ 6393-01-7 ]
[ 731026-31-6 ]

Yield	Reaction Conditions	Operation in experiment
65%	In tetrahydrofuran; at 85℃; for 4 - 5h;	4-Bromomethyl-2,6-di-tert-butyl-phenol (2.42 g, 0.008 mole) was dissolved in 50 ML of dry tetrahydrofuran.. In a separate conical flask 2,5-dimethyl-benzene-1,4-diamine (2.17 g, 0.016 mole) was dissolved in 25 ML of tetrahydrofuran and solution was transferred to a cylindrical funnel with pressure equalizing tube. Three-necked round-bottom flask containing solution of 4-Bromomethyl-2,6-di-tert-butyl-phenol was kept in oil-bath at 85 C. Solution in the flask was continuously stirred with the help of magnetic stirrer. 2,5-dimethyl-para-phenylene diamine solution was added drop-by-drop, from funnel to the flask in acidic medium for a span of 4-5 hours till all the solution was poured out.. The reaction was terminated after that and the final reaction mixture was allowed to attain room temperature.. Product was separated by solvent evaporation.. The product was purified using silica gel column chromatography.. Product was identified by 1H-NMR. The yield of 4-[(4-Amino-2,5-dimethyl-phenylamino)-2,6di-tert-butyl-phenol is 1.86 g (65%).

Reference： [1]Patent: US6770785,2004,B1 .Location in patent: Page column 6-7

59
[ 6393-01-7 ]
[ 589494-02-0 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen;ruthenium on aluminium oxide; In ethanol; at 100℃; for 72h;	A solution of 1,3-dimethylphenylene-2,4-diamine (5 g, 36.7 mmol), 5%Ru on Al2O3 in ethanol (100 ml) was shaken under 950 psi hydrogen pressure at 100 C. for 72 hours, filtered and concentrated under reduced pressure to provide the titled compound. MS(CI(+)Q1MS m/z 143 (M+H)+).

Reference： [1]Patent: US2003/229119,2003,A1 .Location in patent: Page 59

60
[ 77971-40-5 ]
[ 6393-01-7 ]
[ 856010-25-8 ]

Yield	Reaction Conditions	Operation in experiment
52%	With potassium carbonate; In acetone; at 80℃; for 4 - 5h;	EXAMPLE 4 This example describes the synthesis of 4-[(4-Amino-2,5-dimethyl-phenylamino)-methyl]-2-benzotriazol-2-yl-phenol. 2,5-dimethyl-para-phenylene diamine (2.1 equivalent, 0.469 g, 0.00345 mole), potassium carbonate (2.2 equivalent, 0.50 g, 0.60361 mole) and 25 ml acetone were magnetically stirred in a 100 ml two-necked round-bottom flask. 2-Benzotriazol-2-yl-4-bromomethyl-phenol (1 equiv., 0.5 g, 0.00164 mole) was dissolved in 50 ml of acetone and solution was transferred to a cylindrical funnel with pressure equalizing tube. Two-necked round-bottomed flask containing solution of 2,5-dimethyl-para-phenylene diamine was kept in oil-bath at 80 C. 2-Benzotriazol-2-yl-4-bromomethyl-phenol solution was added drop-wise, from funnel to the flask for a span of 4-5 hours till all the solution was poured out. After that heating was stopped and the final reaction mixture was allowed to cool at room temperature. The product was separated by column chromatography. The yield was 52%.

Reference： [1]Patent: US2005/143584,2005,A1 .Location in patent: Page/Page column 5

61
[ 5900-58-3 ]
[ 124-09-4 ]
[ 5162-44-7 ]
[ 446-48-0 ]
[ 7209-38-3 ]
[ 74-96-4 ]
[ 4784-77-4 ]
[ 22288-78-4 ]
[ 542-69-8 ]
bromomethyl resin [ No CAS ]
9-fluorenyl-methoxycarbonyl-cyclohexyl alanine [ No CAS ]
[ 462-94-2 ]
[ 1458-98-6 ]
[ 78-77-3 ]
[ 1809-10-5 ]
[ 110-53-2 ]
[ 592-55-2 ]
[ 7328-91-8 ]
[ 871-76-1 ]
[ 105-83-9 ]
[ 144-48-9 ]
[ 929-59-9 ]
[ 107-59-5 ]
[ 5324-30-1 ]
[ 5428-54-6 ]
[ 27129-86-8 ]
[ 2417-72-3 ]
[ 2581-34-2 ]
[ 554-84-7 ]
[ 3385-21-5 ]
[ 126-38-5 ]
[ 636-93-1 ]
[ 88-30-2 ]
[ 620-13-3 ]
[ 823-78-9 ]
[ 5035-82-5 ]
[ 29022-11-5 ]
[ 539-48-0 ]
[ 35661-39-3 ]
[ 26759-46-6 ]
[ 20439-47-8 ]
[ 2615-25-0 ]
[ 6393-01-7 ]
[ 5372-81-6 ]
[ 35661-40-6 ]
[ 100-39-0 ]
[ 611-17-6 ]
[ 23915-07-3 ]
[ 71989-23-6 ]
[ 35737-15-6 ]
[ 2592-95-2 ]
[ 18880-00-7 ]
[ 88681-68-9 ]
[ 100063-22-7 ]
[ 75-03-6 ]
[ 106-94-5 ]
[ 104-81-4 ]
[ 589-10-6 ]
[ 107-15-3 ]
[ 109-76-2 ]
[ 110-60-1 ]
[ 7051-34-5 ]
[ 106-95-6 ]
[ 622-95-7 ]
[ 589-15-1 ]
[ 134-20-3 ]
[ 2550-36-9 ]
[ 89-92-9 ]
[ 456-41-7 ]
[ 766-80-3 ]
[ 459-46-1 ]
[ 874-98-6 ]
[ 402-49-3 ]
[ 870-63-3 ]
[ 85118-01-0 ]
[ 22115-41-9 ]
[ 3958-57-4 ]
[ 100-11-8 ]
[ 107-82-4 ]
[ 6482-24-2 ]
[ 3132-64-7 ]
[ 112883-41-7 ]
[ 3433-80-5 ]
[ 52727-57-8 ]
C₁₈H₁₅N₂O₃PolS [ No CAS ]
C₂₀H₂₀N₃OPolS [ No CAS ]
C₂₃H₁₉N₂O₂PolS [ No CAS ]
C₁₈H₂₃ClN₃OPolS [ No CAS ]
C₂₂H₂₆N₃OPolS [ No CAS ]
C₂₂H₂₃N₂O₅PolS [ No CAS ]
C₂₀H₂₆ClN₂O₃PolS [ No CAS ]
C₂₃H₂₂ClN₂O₃PolS [ No CAS ]
C₂₀H₂₁FN₃O₃PolS [ No CAS ]
C₂₂H₂₉N₂O₃PolS [ No CAS ]
C₂₁H₂₈N₃O₃PolS [ No CAS ]
C₁₉H₂₆N₃O₄PolS₂ [ No CAS ]
C₂₂H₃₀N₃OPolS [ No CAS ]
C₂₁H₂₈N₃O₄PolS [ No CAS ]
C₂₆H₂₆N₃OPolS [ No CAS ]
C₂₃H₁₅ClF₃N₂O₂PolS [ No CAS ]
C₂₄H₂₂N₃O₃PolS [ No CAS ]
C₂₃H₁₆ClF₂N₂O₂PolS [ No CAS ]
C₂₂H₂₂Br₂N₃OPolS [ No CAS ]
C₂₄H₂₆FN₂O₅PolS [ No CAS ]
C₂₅H₂₂FN₂O₄PolS [ No CAS ]
C₂₆H₂₂N₃O₄PolS [ No CAS ]
C₂₅H₂₅ClN₃O₃PolS [ No CAS ]
C₂₅H₁₈ClF₂N₂O₃PolS [ No CAS ]
C₂₉H₂₆N₃O₃PolS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With piperidine; Carbonyldiimidazole; tin-2-ethylhexanoate dihydrate; potassium tert-butylate; water; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; diisopropyl-carbodiimide; dibromotriphenylphosphorane; In DMF (N,N-dimethyl-formamide); dichloromethane; N,N-dimethyl acetamide; 1,2-dichloro-ethane;Combinatorial reaction / High throughput screening (HTS);	EXAMPLE 1 [0213] This example shows the synthesis of a combinatorial library of thioquinazolinone derivatives. [0214] Step 1a: Preparation of Wang Bromide Resin [0215] 40 tea bags containing 2 g each of Wang resin (80 g, 120 mmol) was taken in a 5 L PP container. A solution of triphenylphosphine dibromide (152 g, 0.15 M, 3 eq., 360 mmol) in 2000 ml DCM was added and the solution was shaken at room temperature overnight. The resin was sequentially washed with DCM (4×, 1.5 L each) and diethylether (6×, 1.5 L each) and dried under vacuum, to give the bromo wang resin. [0216] Step 1b: Loading of the Nitrophenol on Bromo Wang [0217] 20 g of the Bromo wang resin (1.5 meq/g) was taken in a 2 L wide-mouthed glass container and 1000 mL DMA was addded to it followed by the addition of the nitro phenol (10 eq., 0.3M, 300 mmol). Potasium t-butoxide (33.46 g, 10 eq., 300 mmol) was then added to it and the bottles were heated at 50 C. overnight. The bags were washed alternatively with DMF (500 mL) and DCM (500 mL) 3 cycles followed by 6 cycles of MeOH (500 mL). The tea bags were then dried overnight in air. The following nitrophenols were used: [0218] 2-METHYL-5-NITROPHENOL [0219] 5-HYDROXY-2-NITROBENZOTRIFLUORIDE [0220] 3-METHYL-4-NITROPHENOL [0221] 2-METHOXY-5-NITROPHENOL [0222] M-NITROPHENOL [0223] Step 1c: Reduction of the Nitro Group to Amine [0224] A 2.0 M solution of tin-2-ethylhexanoate dihydrate was prepared in DMF containing 0.5% H2O. The tea bags were added and the solution is heated at 50 C. for 40 hours. After cooling the bags are washed with DMF/10% HOAc (3×), DMF (3×), 5% DIEA/DCM (2×), DCM (2×) and MeOH (2×) and dried in air overnight. [0225] Step 1d: Coupling N-FMOC Protected Amino Acid to Wang Resin. [0226] 20 g of Wang resin (1.5 meq/g) was placed in a porous polypropylene packet (Tea-bag, 60 mm×60 mm, 65mu) and taken in a 1000 mL plastic bottle. DMF (300 mL), DCM (300 mL), FMOC-Cyclohexyl alanine (70.82 g, 6 eq., 0.3M, 180 mmol), DIC (22.71 g, 6 eq., 180 mmol), HOBt (24.32 g, 6 eq., 180 mmol) were added sequentially. After shaking for 12 hours, the packet was washed alternatively with DMF (500 mL) and DCM (500 mL) 3 cycles followed by 6 cycles of MeOH (500 mL). The packet was then dried overnight in air. The tea bags containing the amino acids were then treated with 20% piperidine/DMF for 2 h at room temperature to deblock the FMOC group. The following amino acids were used: [0227] FMOC-GLY-OH [0228] FMOC-ALA-OH [0229] FMOC-L-ISOLEUCINE [0230] FMOC-L-PHENYLALANINE [0231] FMOC-D-NLE-OH [0232] FMOC-CHA-OH [0233] FMOC-L-TRYPTOPHAN [0234] Step 1e: Coupling of the Diamines to Wang Resin [0235] 20 g of Wang resin (1.5 meq/g) was placed in a porous polypropylene packet (Tea-bag, 60 mm×60 mm, 65mu) and taken in a 1000 mL Nalgene bottle. 600 mL of DCM was added followed by the addition of the carbonyl diimidazole (29.9 g, 6 eq., 0.3M, 180 mmol) and the flasks were shaken at room temperature for 3 hours after which they were decanted and washed with DCM (2×, 600 mL). To these Nalgene bottles were added the diamines (6 eq., 0.4M, 180 mmol) in 450 mL of DCM (0.4M) and they were shaken at room temperature overnight. The diamines used were as follows: [0236] 2,2-DIMETHYL-1,3-PROPANEDIAMINE [0237] 1,3-CYCLOHEXANEDIAMINE [0238] (1R,2R)-(-)-1,2-DIAMINOCYCLOHEXANE [0239] TRANS-1,4-DIAMINOCYCLOHEXANE [0240] P-XYLYLENEDIAMINE [0241] 1,4-BIS(3-AMINOPROPYL)PIPERAZINE [0242] ETHYLENEDIAMINE [0243] 1,3-DIAMINOPROPANE [0244] 1,8-DIAMINO-3,6-DIOXAOCTANE [0245] 1,4-DIAMINOBUTANE [0246] 1,5-DIAMINOPENTANE [0247] 1,6-HEXANEDIAMINE [0248] N,N-BIS(3-AMINOPROPYL)METHYLAMINE [0249] 2,2'-THIOBIS(ETHYLAMINE) [0250] 2,5-DIMETHYL-1,4-PHENYLENEDIAMINE [0251] After shaking overnight, the packets was washed alternatively with DMF (500 mL) and DCM (500 mL) 3 cycles followed by 6 cycles of MeOH (500 mL). The packet was then dried in air. [0252] Step 2: Formation of the Isothiocyanate [0253] The o-amino benzoate ester (136 g, 10 eq., 900 mmol) was taken in a 5 L wide-mouthed glass bottle and 2.7 L of dichloroethane was added to it (0.3M). The following esters were used: [0254] METHYL ANTHRANILATE [0255] METHYL 2-AMINO-4-CHLOROBENZOATE [0256] 2-AMINO-4,5-DIMETHOXYBENZOIC ACID [0257] METHYL ESTER [0258] METHYL 3,4,5-TRIMETHOXYANTHRANILATE [0259] DIMETHYL AMINOTEREPHTHALATE [0260] METHYL 2-AMINO-5-BROMOBENZOATE [0261] METHYL 3-AMINOTHIOPHENE-2-CARBOXYLATE [0262] METHYL 3-AMINO-5-PHENYLTHIOPHENE-2-CARBOXYLATE [0263] Thiocarbonyl diimidazole (160 g, 10 eq., 900 mmol) was added to it and the solution was heated at 55 C. overnight to form the isothiocyanate. [0264] Step 3: Formation of the Thioquinazolinone [0265] The next day the tea bags containing the amino acids, diamines and the amino phenols on wang resin (90 mmol) was added to the isothiocyanate solution from reaction 2 and the glass bottles were heated at 55 C. overnight. After cooling the bags was washed alternatively with DMF (2000 mL) and DCM (2000 mL) 3 cycles followed by 6 cycles of MeOH...

Reference： [1]Patent: US2004/102629,2004,A1 .Location in patent: Page 16-18

62
[ 6393-01-7 ]
[ 532-55-8 ]
1,4-di(benzoylthiocarbamoylamino)-2,5-dimethylbenzene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
98.6%	In ethyl acetate;	1,4-di(benzoylthiocarbamoylamino)-2,5-dimethylbenzene 2,5-Dimethyl-p-phenylenediamine (0.340 g, 2.5 mM) was dissolved in 30 ml of ethyl acetate, and 2 equivalents of benzoylisothiocyanate (0.816 g, 5 mM) were added. The mixture was stirred at room temperature for 10 minutes. After cooling, the reaction mixture was filtered, and washed with ethyl acetate/n-hexane to obtain 1.14 g (98.6% yield) of a colorless crystal of compound A-26. Melting point: 228 C. (dec.) 1 H-NMR (DMSO-d6) ppm delta=2.26 (6H, s, phi-CH3 x 2) delta=7.53-7.70 (12H, m, --C6 H2 --, C6 H5 -- x 2) delta=11.69 (2H, broad s, --NH-- x 2) delta=12.28 (2H, broad s, --NH-- x 2)

Reference： [1]Patent: US5723075,1998,A

63
[ 57146-54-0 ]
[ 6393-01-7 ]
[ 226947-08-6 ]

Reference： [1]Polyhedron,1999,vol. 18,p. 1221 - 1227

64
[ 6393-01-7 ]
2,5-dimethyl-1,4-benzenebis(diazonium) tetrafluoroborate [ No CAS ]

Reference： [1]Journal of Fluorine Chemistry,2008,vol. 129,p. 1076 - 1082

65
[ 108-86-1 ]
[ 6393-01-7 ]
[ 721400-23-3 ]

Yield	Reaction Conditions	Operation in experiment
62%	With sodium t-butanolate;tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; In toluene; at 80℃; for 5h;	(1) Synthesis of Intermediate E; 1.36 g (10.0 mmol) of <strong>[6393-01-7]2,5-dimethyl-1,4-phenylenediamine</strong> and 3.77 g (24.0 mmol) of 4-bromobenzene were dissolved in 50 M of toluene. 2.88 g (30.0 mmol) of sodium t-butoxide, 0.388 g (0.40 mmol) of Pd(dba)2, and 0.08 g (0.40 mmol) of tri-t-butylphosphine((t-Bu)3P) were added to the solution, and the mixture was stirred at 80 C, for 5 hours. The resultant mixture was cooled to room temperature, and then 50 M of water was added thereto, and the resultant was subjected to extraction three times, using 20 M of ethyl ether. A collected organic layer was dried using magnesium sulfate, and the residue prepared by removing the solvent was separated and purified, using a silica gel column chromatography, to obtain 1.78 g of Intermediate E (Yield: 62 %). 1H NMR (CDCl3, 400MHz) delta (ppm) 7.28-6.89 (m, 12H), 5.43 (s, 2H), 2.15 (s, 3H); 13C NMR (CDCl3, 100MHz) delta (ppm) 147.5, 139.2, 134.9, 129.3, 121.0, 117.5, 18.2.

Reference： [1]Patent: EP2060574,2009,A1 .Location in patent: Page/Page column 19

66
[ 106-38-7 ]
[ 6393-01-7 ]
[ 1151857-31-6 ]

Yield	Reaction Conditions	Operation in experiment
68%	With sodium t-butanolate;tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium(0); In toluene; at 80℃; for 5h;	(1) Synthesis of Intermediate A; 1.36 g (10.0 mmol) of <strong>[6393-01-7]2,5-dimethyl-1,4-phenylenediamine</strong> and 4.10 g (24.0 mmol) of 4-bromotoluene were dissolved in 50 M of toluene. 2.88 g (30.0 mmol) of sodium t-butoxide, 0.388 g (0.40 mmol) of Pd(dba)2 and 0.08 g (0.40 mmol) of tri-t-butylphosphine((t-Bu)3P) were added to the solution, and the mixture was stirred at 80 C, for 5 hours. The resultant mixture was cooled to room temperature, and then 50 M of water was added thereto. The resultant mixture was subjected to extraction three times, using 20 M of ethyl ether. A collected organic layer was dried using magnesium sulfate, and the residue (prepared by removing the solvent) was separated and purified using a silica gel column chromatography, to obtain 2.15 g of Intermediate A (Yield: 68 %). 1H NMR (CDCl3, 400MHz) delta (ppm) 7.24-7.33 (m, 4H), 7.09 (s, 2H), 6.85-6.78 (m, 4H), 5.25 (bs, 2H), 2.32 (s, 6H), 2.17 (s, 6H); 13C NMR (CDCl3, 100MHz) delta (ppm) 145.8, 133.2, 128.5, 127.8, 123.8, 122.5, 116.8, 17.6, 15.7.

Reference： [1]Patent: EP2060574,2009,A1 .Location in patent: Page/Page column 16

67
[ 92-66-0 ]
[ 6393-01-7 ]
[ 1151857-34-9 ]

Yield	Reaction Conditions	Operation in experiment
71%	With sodium t-butanolate;tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; In toluene; at 80℃; for 5h;	(1) Synthesis of Intermediate C; 1.36 g (10.0 mmol) of <strong>[6393-01-7]2,5-dimethyl-1,4-phenylenediamine</strong> and 5.13 g (22.0 mmol) of 4-bromobiphenyl was dissolved in 50 M of toluene. 2.88 g (30.0 mmol) of sodium t-butoxide, 0.388 g (0.40 mmol) of Pd(dba)2, and 0.08 g (0.40 mmol) of tri-t-butylphosphine((t-Bu)3P) were added to the solution, and the mixture was stirred at 80 C, for 5 hours. The resultant mixture was cooled to room temperature, and then 50 M of water was added thereto, and the resultant was subjected to extraction three times, using 20 M of ethyl ether. A collected organic layer was dried using magnesium sulfate, and the residue prepared by removing the solvent was separated and purified, using a silica gel column chromatography, to obtain 3.13 g of Intermediate C (Yield: 71 %). 1H NMR (CDCl3, 400MHz) delta (ppm) 7.24-7.04 (m, 14H), 6.75-6.58 (m, 4H), 5.12 (bs, 2H), 2.17 (s, 6H); 13C NMR (CDCl3, 100MHz) delta (ppm) 145.8, 133.2, 131.5, 129.7, 128.5, 127.8, 124.3, 123.8, 122.5, 119.5, 116.8, 17.6.

Reference： [1]Patent: EP2060574,2009,A1 .Location in patent: Page/Page column 17-18

68
[ 81-86-7 ]
[ 6393-01-7 ]
[ 1163177-02-3 ]

Reference： [1]Journal of the American Chemical Society,2009,vol. 131,p. 8372 - 8373

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Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
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P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
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.
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P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
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P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
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P265	Wash skin thouroughly after handling.
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P281	Use personal protective equipment as required.
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Response
Code	Phrase
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P321
P322
P330	Rinse mouth.
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P337	If eye irritation persists:
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P342	If experiencing respiratory symptoms:
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P378
P380	Evacuate area.
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P391	Collect spillage. Hazardous to the aquatic environment
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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.
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P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
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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.
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P370 + P376	In case of fire: Stop leak if safe to Do so.
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Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	{[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

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. 6393-01-7 ]

Quality Control of [ 6393-01-7 ]

Related Doc. of [ 6393-01-7 ]

Product Details of [ 6393-01-7 ]

Calculated chemistry of [ 6393-01-7 ]

Physicochemical Properties

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Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 6393-01-7 ]

Application In Synthesis of [ 6393-01-7 ]

[ 6393-01-7 ] Synthesis Path-Downstream 1~68

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