[ CAS No. 17852-67-4 ] {[proInfo.proName]}

Name: 17852-67-4|(4-(Methylsulfonyl)phenyl)hydrazine hydrochloride|95%
Brand: Ambeed
SKU: A136899
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Quality Control of [ 17852-67-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 17852-67-4 ]

Product Details of [ 17852-67-4 ]

CAS No. :	17852-67-4	MDL No. :	MFCD00216494
Formula :	C₇H₁₁ClN₂O₂S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	QVCMFSJTNVQJFG-UHFFFAOYSA-N
M.W :	222.69	Pubchem ID :	2735181
Synonyms :

Calculated chemistry of [ 17852-67-4 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	53.71
TPSA :	80.57 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.6
Log Po/w (WLOGP) :	2.07
Log Po/w (MLOGP) :	1.2
Log Po/w (SILICOS-IT) :	-0.36
Consensus Log Po/w :	0.7

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.81
Solubility :	3.46 mg/ml ; 0.0156 mol/l
Class :	Very soluble
Log S (Ali) :	-1.87
Solubility :	3.03 mg/ml ; 0.0136 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.4
Solubility :	0.878 mg/ml ; 0.00394 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.98

Safety of [ 17852-67-4 ]

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

Application In Synthesis of [ 17852-67-4 ]

* 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.

Upstream synthesis route of [ 17852-67-4 ]
Downstream synthetic route of [ 17852-67-4 ]

[ 17852-67-4 ] Synthesis Path-Upstream 1~2

1
[ 5470-49-5 ]
[ 17852-67-4 ]

Yield	Reaction Conditions	Operation in experiment
67.9%	Stage #1: With hydrogenchloride; sodium nitrite In water at -10℃; for 1 h; Stage #2: With hydrogenchloride; tin(II) chloride dihdyrate In water at -10℃; for 1 h;	100 mL of hydrochloric acid was placed in a 500 mL four-necked flask,The temperature inside the flask was cooled to -10 ° C. or lower in an ice water bath,While keeping the temperature in the flask not to exceed -10 ° C.,4- (methylsulfonyl) aniline 10.27 g(0.06 mol) were added and dissolved.After the fever ceased,While maintaining the temperature in the flask below -10 ° C.,4.47 g (0.065 mol) of sodium nitrite,In 30 g of distilled water was added dropwise over 1 hour.After completion of the dropwise addition, 67.7 g of tin chloride.dihydrate(0.30 mol) in 60 mL of hydrochloric acid,Was added dropwise over 1 hour while maintaining the temperature in the flask at -10 ° C. or lower, and the reaction proceeded.After completion of the reaction, the cake obtained by filtration was dried at 60 ° C. using a vacuum drier 12Dry for a while,4- (Methylsulfonyl) phenylhydrazine hydrochloride(Intermediate G1) was obtained.The yield based on 4- (methylsulfonyl) aniline was 67.9 molpercent.

Reference： [1] Patent: JP2018/95798, 2018, A, . Location in patent: Paragraph 0081; 0084

2
[ 3466-32-8 ]
[ 17852-67-4 ]

Reference： [1] Chinese Journal of Chemistry, 2018, vol. 36, # 11, p. 1003 - 1006

[ 17852-67-4 ] Synthesis Path-Downstream 1~87

1
[ 56611-61-1 ]
[ 17852-67-4 ]
3-(4-Methanesulfonyl-phenyl)-5,7-dimethyl-4-oxo-1,2,3,4-tetrahydro-phthalazine-6-carboxylic acid ethyl ester [ No CAS ]
3-(4-Methanesulfonyl-phenyl)-5,7-dimethyl-4-oxo-1,2,3,4-tetrahydro-phthalazine-1,6-dicarboxylic acid 6-ethyl ester [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,1984,vol. 19,p. 223 - 228

2
[ 31686-94-9 ]
[ 17852-67-4 ]
[ 1028297-80-4 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1997,vol. 45,p. 987 - 995

3
[ 13618-31-0 ]
[ 17852-67-4 ]
3-cyclohexyl-1-(4-methanesulfonylphenyl)-4,5-tetramethylenepyrazole [ No CAS ]
3-cyclohexyl-2-(4-methanesulfonylphenyl)-4,5-tetramethylenepyrazole [ No CAS ]

Reference： [1]Pharmazie,2002,vol. 57,p. 301 - 305

4
[ 6296-54-4 ]
[ 17852-67-4 ]
[ 443919-99-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 779 - 782

5
[ 72206-25-8 ]
[ 17852-67-4 ]
3-butyl-1-(4-methanesulfonyl-phenyl)-5-phenyl-1H-pyrazole [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 779 - 782

6
[ 62822-48-4 ]
[ 17852-67-4 ]
3-cyclohexyl-2-(4-methanesulfonylphenyl)-4,5-trimethylenepyrazole [ No CAS ]
3-cyclohexyl-1-(4-methanesulfonylphenyl)-4,5-trimethylenepyrazole [ No CAS ]

Reference： [1]Pharmazie,2002,vol. 57,p. 301 - 305

7
[ 17852-67-4 ]
[ 1817-57-8 ]
3-methyl-1-[4-(methylsulfonyl)phenyl]-5-phenyl-1H-pyrazole [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 779 - 782

8
[ 52200-09-6 ]
[ 17852-67-4 ]
1-(4-methanesulfonyl-phenyl)-5-phenyl-1H-pyrazole-4-carbonitrile [ No CAS ]
1-(4-methanesulfonyl-phenyl)-5-phenyl-1H-pyrazole-4-carboxylic acid amide [ No CAS ]

Reference： [1]Il Farmaco,2003,vol. 58,p. 795 - 808

9
[ 66129-60-0 ]
[ 17852-67-4 ]
1-(4-methanesulfonyl-phenyl)-5-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester [ No CAS ]

Reference： [1]Il Farmaco,2003,vol. 58,p. 795 - 808

10
[ 76348-92-0 ]
[ 17852-67-4 ]
[ 676233-07-1 ]

Reference： [1]Il Farmaco,2003,vol. 58,p. 795 - 808

11
[ 17852-67-4 ]
[ 76345-09-0 ]
1-(4-methanesulfonyl-phenyl)-5-(4-nitro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester [ No CAS ]

Reference： [1]Il Farmaco,2003,vol. 58,p. 795 - 808

12
[ 17852-67-4 ]
[ 76344-77-9 ]
[ 676233-09-3 ]

Reference： [1]Il Farmaco,2003,vol. 58,p. 795 - 808

13
[ 17852-67-4 ]
[ 58582-97-1 ]
[ 676233-08-2 ]

Reference： [1]Il Farmaco,2003,vol. 58,p. 795 - 808

14
[ 17852-67-4 ]
[ 676233-04-8 ]
1-(4-methanesulfonyl-phenyl)-5-phenyl-1H-pyrazole-4-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Il Farmaco,2003,vol. 58,p. 795 - 808

15
[ 17852-67-4 ]
[ 676233-03-7 ]
[ 676233-10-6 ]

Reference： [1]Il Farmaco,2003,vol. 58,p. 795 - 808

16
[ 17852-67-4 ]
[ 128594-22-9 ]
[ 676233-11-7 ]

Reference： [1]Il Farmaco,2003,vol. 58,p. 795 - 808

17
[ 88330-79-4 ]
[ 17852-67-4 ]
[ 443919-99-1 ]

Reference： [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 6195 - 6206

18
[ 648869-31-2 ]
[ 326-56-7 ]
[ 17852-67-4 ]
3-[5-benzo[1,3]dioxol-5-yl-2-(4-methanesulfonyl-phenyl)-2H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]
3-[5-benzo[1,3]dioxol-5-yl-1-(4-methanesulfonyl-phenyl)-1H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80

19
[ 648869-33-4 ]
[ 326-56-7 ]
[ 17852-67-4 ]
3-[5-benzo[1,3]dioxol-5-yl-2-(4-methanesulfonyl-phenyl)-2H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]
3-[5-benzo[1,3]dioxol-5-yl-1-(4-methanesulfonyl-phenyl)-1H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80

20
[ 648869-31-2 ]
[ 2905-65-9 ]
[ 17852-67-4 ]
3-[5-(3-chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]
3-[5-(3-chloro-phenyl)-2-(4-methanesulfonyl-phenyl)-2H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80

21
[ 648869-33-4 ]
[ 2905-65-9 ]
[ 17852-67-4 ]
3-[5-(3-chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]
3-[5-(3-chloro-phenyl)-2-(4-methanesulfonyl-phenyl)-2H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80

22
[ 648869-31-2 ]
[ 2459-25-8 ]
[ 17852-67-4 ]
3-[2-(4-methanesulfonyl-phenyl)-5-naphthalen-2-yl-2H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]
3-[1-(4-methanesulfonyl-phenyl)-5-naphthalen-2-yl-1H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80

23
[ 648869-33-4 ]
[ 2459-25-8 ]
[ 17852-67-4 ]
3-[2-(4-methanesulfonyl-phenyl)-5-naphthalen-2-yl-2H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]
3-[1-(4-methanesulfonyl-phenyl)-5-naphthalen-2-yl-1H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80

24
[ 648869-31-2 ]
[ 21218-94-0 ]
[ 17852-67-4 ]
3-[2-(4-methanesulfonyl-phenyl)-5-(4-phenoxy-phenyl)-2H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]
3-[1-(4-methanesulfonyl-phenyl)-5-(4-phenoxy-phenyl)-1H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80

25
[ 648869-33-4 ]
[ 21218-94-0 ]
[ 17852-67-4 ]
3-[2-(4-methanesulfonyl-phenyl)-5-(4-phenoxy-phenyl)-2H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]
3-[1-(4-methanesulfonyl-phenyl)-5-(4-phenoxy-phenyl)-1H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80

26
[ 648869-31-2 ]
[ 2905-68-2 ]
[ 17852-67-4 ]
3-[5-(3,4-dichloro-phenyl)-2-(4-methanesulfonyl-phenyl)-2H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]
3-[5-(3,4-Dichloro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80

27
[ 648869-33-4 ]
[ 2905-68-2 ]
[ 17852-67-4 ]
3-[5-(3,4-dichloro-phenyl)-2-(4-methanesulfonyl-phenyl)-2H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]
3-[5-(3,4-Dichloro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-pyrazol-3-yl]-2-m-tolyl-propionic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 77 - 80

28
[ 41661-47-6 ]
[ 17852-67-4 ]
4-piperidinone 4-methanesulfonylphenylhydrazone monohydrochloride [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,2006,vol. 43,p. 571 - 578

29
[ 41661-47-6 ]
[ 17852-67-4 ]
2,3,4,5-tetrahydro-8-methanesulfonyl-1H-pyrido[4,3-b]indole monosulfate [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,2006,vol. 43,p. 571 - 578

30
[ 3612-20-2 ]
[ 17852-67-4 ]
1-(phenylmethyl)-4-piperidinone 4-methanesulfonylphenylhydrazone [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,2006,vol. 43,p. 571 - 578

31
[ 3612-20-2 ]
[ 17852-67-4 ]
2,3,4,5-tetrahydro-8-methanesulfonyl-2-(phenylmethyl)-1H-pyrido[4,3-b]indole monosulfate [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,2006,vol. 43,p. 571 - 578

32
[ 17852-67-4 ]
[ 95-92-1 ]
[ 121-97-1 ]
2-[(4-methanesulfonyl-phenyl)-hydrazono]-4-(4-methoxy-phenyl)-3-methyl-4-oxo-butyric acid ethyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2006,vol. 14,p. 3712 - 3720

33
[ 17852-67-4 ]
[ 29976-53-2 ]
1-ethoxycarbonylpiperidinone 4-methanesulfonylphenylhydrazone [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,2006,vol. 43,p. 571 - 578

34
p-tolyl-4,6-dioxohexanoic acid [ No CAS ]
[ 17852-67-4 ]
[ 960215-01-4 ]

Yield	Reaction Conditions	Operation in experiment
76%	With triethanolamine; In methanol; at 25℃; for 16h;	3-[1-{p-(methanesulfonyl)phenyl}-5-p-tolyl-1H-pyrazol-3-yl]propanoic acid (Compound 27e) was synthesized essentially as described in Murry et al. (1991) Synthesis 1, 18-20. Briefly, p-methanesulfonylphenyl hydrazine hydrochloride (10 mmol) was added to a stirred solution of p-tolyl-4,6-dioxohexanoic acid (10 mmol) in MeOH (75 mL), followed by the addition of TEA (10 mmol) and stirred for 16 h at 25 C. The mixture was then concentrated in vacuo to a residue, which was partitioned between Et2O (75 mL) and 5% aq HCl (75 mL). The ether layer was separated, washed with 5% aq HCl (2×20 mL), and brine (20 mL), dried (Na2SO4, 500 mg), filtered and concentrated to a residue. The crude residue was purified using a silica gel gravity column chromatography (35:7:1 CHCl3:MeOH:NH4OH) to give 3-[1-{p-(methanesulfonyl)phenyl}-5-p-tolyl-1H-pyrazol-3-yl]propanoic acid as a yellow solid (Compound 27e; 76%). 1H NMR (500 MHz, CDCl3) delta 2.36 [s, 3H, CH3 (tolyl)], 2.78 (t, J=7.9 Hz, 2H, CH2), 3.00-3.08 (m, 5H, SO2CH3 and CH2), 6.33 (s, CCH), 7.05 (d, J=8.5 Hz, 2H, p-tolyl H-3, H-5), 7.12 (d, J=8.5 Hz, 2H, p-tolyl H-2, H-6), 7.45 [d, J=8.8 Hz, 2H, p-(methanesulfonyl)phenyl H-2, H-6], 7.85 (d, J=8.8 Hz, 2H, p-(methanesulfonyl)phenyl H-3, H-5), 12.15 (s, 1H, CO2H. Mass (ESI) (M+1) calcd for C20H20N2O4S 385.11; found 385.00.

Reference： [1]Patent: US2007/292352,2007,A1 .Location in patent: Page/Page column 56

35
[ 17852-67-4 ]
1-(4-methanesulfonyl-phenyl)-5-(4-methoxy-phenyl)-4-methyl-1H-pyrazole-3-carbonyl chloride [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2006,vol. 14,p. 3712 - 3720

36
[ 17852-67-4 ]
1-(4-methanesulfonyl-phenyl)-5-(4-methoxy-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2006,vol. 14,p. 3712 - 3720

37
[ 17852-67-4 ]
[ 891866-06-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2006,vol. 14,p. 3712 - 3720

38
[ 17852-67-4 ]
1-(4-methanesulfonyl-phenyl)-5-(4-methoxy-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2006,vol. 14,p. 3712 - 3720

39
[ 17852-67-4 ]
[ 75994-19-3 ]

Reference： [1]European Journal of Medicinal Chemistry,1984,vol. 19,p. 223 - 228

40
[ 17852-67-4 ]
[ 94568-86-2 ]

Reference： [1]European Journal of Medicinal Chemistry,1984,vol. 19,p. 223 - 228

41
[ 96107-01-6 ]
[ 17852-67-4 ]
[ 251442-98-5 ]

Yield	Reaction Conditions	Operation in experiment
		Table 1 shows some examples that are encompassed by the general formula (I) and in Table 2 the data are indicated for identification of these compounds. The examples 1-36, 44-63 and 65-74 have been prepared according to method A, examples 37-39 according to method B, examples 40-42 according to method C, example 64 according to method F and the enantiomerically pure compounds 75-78 by resolution of the racemic mixture.

Reference： [1]Patent: US6353117,2002,B1 .Location in patent: Page column 15-16

42
[ 3108-32-5 ]
[ 17852-67-4 ]
[ 251442-97-4 ]

Yield	Reaction Conditions	Operation in experiment
		Table 1 shows some examples that are encompassed by the general formula (I) and in Table 2 the data are indicated for identification of these compounds. The examples 1-36, 44-63 and 65-74 have been prepared according to method A, examples 37-39 according to method B, examples 40-42 according to method C, example 64 according to method F and the enantiomerically pure compounds 75-78 by resolution of the racemic mixture.

Reference： [1]Patent: US6353117,2002,B1 .Location in patent: Page column 15-16

43
[ 17852-67-4 ]
[ 101048-46-8 ]
[ 251443-00-2 ]

Yield	Reaction Conditions	Operation in experiment
		Table 1 shows some examples that are encompassed by the general formula (I) and in Table 2 the data are indicated for identification of these compounds. The examples 1-36, 44-63 and 65-74 have been prepared according to method A, examples 37-39 according to method B, examples 40-42 according to method C, example 64 according to method F and the enantiomerically pure compounds 75-78 by resolution of the racemic mixture.

Reference： [1]Patent: US6353117,2002,B1 .Location in patent: Page column 15-16

44
(E)-4-(2,4-dichlorophenyl)-1,1,1-trifluorobut-3-en-2-one [ No CAS ]
[ 17852-67-4 ]
[ 251443-03-5 ]

Yield	Reaction Conditions	Operation in experiment
		Table 1 shows some examples that are encompassed by the general formula (I) and in Table 2 the data are indicated for identification of these compounds. The examples 1-36, 44-63 and 65-74 have been prepared according to method A, examples 37-39 according to method B, examples 40-42 according to method C, example 64 according to method F and the enantiomerically pure compounds 75-78 by resolution of the racemic mixture.

Reference： [1]Patent: US6353117,2002,B1 .Location in patent: Page column 15-16

45
[ 101048-66-2 ]
[ 17852-67-4 ]
[ 251443-16-0 ]

Yield	Reaction Conditions	Operation in experiment
		Table 1 shows some examples that are encompassed by the general formula (I) and in Table 2 the data are indicated for identification of these compounds. The examples 1-36, 44-63 and 65-74 have been prepared according to method A, examples 37-39 according to method B, examples 40-42 according to method C, example 64 according to method F and the enantiomerically pure compounds 75-78 by resolution of the racemic mixture.

Reference： [1]Patent: US6353117,2002,B1 .Location in patent: Page column 15-16

46
(E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-one [ No CAS ]
[ 17852-67-4 ]
[ 251443-08-0 ]

Yield	Reaction Conditions	Operation in experiment
		Table 1 shows some examples that are encompassed by the general formula (I) and in Table 2 the data are indicated for identification of these compounds. The examples 1-36, 44-63 and 65-74 have been prepared according to method A, examples 37-39 according to method B, examples 40-42 according to method C, example 64 according to method F and the enantiomerically pure compounds 75-78 by resolution of the racemic mixture.

Reference： [1]Patent: US6353117,2002,B1 .Location in patent: Page column 15-16

47
(E)-1,1,1-trifluoro-4-(3-fluorophenyl)but-3-en-2-one [ No CAS ]
[ 17852-67-4 ]
[ 251443-10-4 ]

Yield	Reaction Conditions	Operation in experiment
		Table 1 shows some examples that are encompassed by the general formula (I) and in Table 2 the data are indicated for identification of these compounds. The examples 1-36, 44-63 and 65-74 have been prepared according to method A, examples 37-39 according to method B, examples 40-42 according to method C, example 64 according to method F and the enantiomerically pure compounds 75-78 by resolution of the racemic mixture.

Reference： [1]Patent: US6353117,2002,B1 .Location in patent: Page column 15-16

48
[ 65300-29-0 ]
[ 17852-67-4 ]
[ 251443-18-2 ]

Yield	Reaction Conditions	Operation in experiment
		Table 1 shows some examples that are encompassed by the general formula (I) and in Table 2 the data are indicated for identification of these compounds. The examples 1-36, 44-63 and 65-74 have been prepared according to method A, examples 37-39 according to method B, examples 40-42 according to method C, example 64 according to method F and the enantiomerically pure compounds 75-78 by resolution of the racemic mixture.

Reference： [1]Patent: US6353117,2002,B1 .Location in patent: Page column 15-16

49
[ 3160-38-1 ]
[ 17852-67-4 ]
[ 251443-19-3 ]

Yield	Reaction Conditions	Operation in experiment
		Table 1 shows some examples that are encompassed by the general formula (I) and in Table 2 the data are indicated for identification of these compounds. The examples 1-36, 44-63 and 65-74 have been prepared according to method A, examples 37-39 according to method B, examples 40-42 according to method C, example 64 according to method F and the enantiomerically pure compounds 75-78 by resolution of the racemic mixture.

Reference： [1]Patent: US6353117,2002,B1 .Location in patent: Page column 17-18

50
[ 17852-67-4 ]
[ 115665-92-4 ]
[ 251443-23-9 ]

Yield	Reaction Conditions	Operation in experiment
		Table 1 shows some examples that are encompassed by the general formula (I) and in Table 2 the data are indicated for identification of these compounds. The examples 1-36, 44-63 and 65-74 have been prepared according to method A, examples 37-39 according to method B, examples 40-42 according to method C, example 64 according to method F and the enantiomerically pure compounds 75-78 by resolution of the racemic mixture.

Reference： [1]Patent: US6353117,2002,B1 .Location in patent: Page column 17-18

51
[ 1866-39-3 ]
[ 17852-67-4 ]
4,5-dihydro-5-(4-methylphenyl)-1-(4-methylsulphonylphenyl)-1H-pyrazole-3-carboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		Table 1 shows some examples that are encompassed by the general formula (I) and in Table 2 the data are indicated for identification of these compounds. The examples 1-36, 44-63 and 65-74 have been prepared according to method A, examples 37-39 according to method B, examples 40-42 according to method C, example 64 according to method F and the enantiomerically pure compounds 75-78 by resolution of the racemic mixture.

Reference： [1]Patent: US6353117,2002,B1 .Location in patent: Page column 17-18

52
[ 14371-10-9 ]
[ 17852-67-4 ]
4,5-Dihydro-5-phenyl-1-(4-methylsulphonylphenyl)-1H-pyrazol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		Table 1 shows some examples that are encompassed by the general formula (I) and in Table 2 the data are indicated for identification of these compounds. The examples 1-36, 44-63 and 65-74 have been prepared according to method A, examples 37-39 according to method B, examples 40-42 according to method C, example 64 according to method F and the enantiomerically pure compounds 75-78 by resolution of the racemic mixture.

Reference： [1]Patent: US6353117,2002,B1 .Location in patent: Page column 17-18

53
[ 1122-54-9 ]
[ 17852-67-4 ]
5-methanesulfonyl-2-(pyridin-4-yl)-indole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		To a mixture of <strong>[17852-67-4]1-(4-methanesulfonyl-phenyl)-hydrazine hydrochloride</strong> (1.0 g) and polyphosphoric acid (15 g), 4-acetylpyridine (0.47 ml) was added and the mixture was stirred at 150 C. for 1 hour.. The reaction solution was poured into a saturated aqueous sodium hydrogencarbonate solution and extracted with chloroform.. The organic layer was concentrated under reduced pressure.. The resulting residue was washed with n-hexane to obtain 0.9591 g of the desired product as a white solid. 1H-NMR (DMSO-d6) delta: 3.19 (3H, s), 7.43 (1H, s), 7.65 (1H, d, J=5.9 Hz), 7.70 (1H, d, J=5.9 Hz), 7.87 (2H, d, J=5.6 Hz), 8.21 (1H, s), 8.67 (2H, d, J=5.6 Hz).
	With PPA;	(1) Preparation of 5-methanesulfonyl-2-(4-pyridyl)-indole To a mixture of <strong>[17852-67-4]1-(4-methanesulfonyl-phenyl)-hydrazine hydrochloride</strong> (1.0 g) and polyphosphoric acid (15 g), 4-acetylpyridine (0.47 ml) was added and the mixture was stirred at 150C for 1 hour. The reaction solution was poured into a saturated aqueous sodium hydrogencarbonate solution and extracted with chloroform. The organic layer was concentrated under reduced pressure. The resulting residue was washed with n-hexane to obtain 0.9591 g of the desired product as a white solid. 1H-NMR (DMSO-d6) delta: 3.19 (3H, s), 7.43 (1H, s), 7.65 (1H, d, J=5.9Hz), 7.70 (1H, d, J=5.9Hz), 7.87 (2H, d, J=5.6Hz), 8.21 (1H, s), 8.67 (2H, d, J=5.6Hz).

Reference： [1]Patent: US6673797,2004,B1 .Location in patent: Page column 57
[2]Patent: EP1086950,2001,A1

54
4,4,4-trifluoro-1-(6-methoxybenzothiazol-2-yl)butane-1,3-dione [ No CAS ]
[ 17852-67-4 ]
6-methoxy-2-[1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazol-5-yl]benzothiazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
77%	In ethanol;	Example 9 6-Methoxy-2-[1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazol-5-yl]benzothiazole The mixture of 4,4,4-trifluoro-1-(6-methoxybenzothiazol-2-yl)butane-1,3-dione (300 mg, 1.0 mmol) and 4-methylsulfonyl-phenylhydrazine hydrochloride (260 mg, 1.1 mmol) was heated under reflux in ethanol (50 ml) for 3.5 hours, and then allowed to cool. The precipitated crystals were collected and subjected to recrystallization from ethanol and ethyl acetate-isooctane to afford 6-methoxy-2-[1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazol-5-yl]benzothiazole (350 mg, 77%). NMR(CDCl3) delta: 3.11 (3H, s), 3.89 (3H, s), 7.11 (1H, dd, J=2.3 Hz, 8.6 Hz), 7.20 (1H, s), 7.32 (1H, d, J=2.3 Hz), 7.75 (2H, d, J=8.6 Hz), 7.82 (1H, d, J=8.6 Hz), 8.04 (2H, d, J=8.6 Hz); mp 217-218 C.