[ CAS No. 2124-55-2 ] {[proInfo.proName]}

Name: 2124-55-2|Indole-4-carboxylic acid|98%
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Quality Control of [ 2124-55-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 2124-55-2 ]

Product Details of [ 2124-55-2 ]

CAS No. :	2124-55-2	MDL No. :	MFCD00009739
Formula :	C₉H₇NO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ROGHUJUFCRFUSO-UHFFFAOYSA-N
M.W :	161.16	Pubchem ID :	595229
Synonyms :

Calculated chemistry of [ 2124-55-2 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	45.26
TPSA :	53.09 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 :	No
Log Kp (skin permeation) :	-6.17 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.05
Log Po/w (XLOGP3) :	1.57
Log Po/w (WLOGP) :	1.87
Log Po/w (MLOGP) :	1.08
Log Po/w (SILICOS-IT) :	1.89
Consensus Log Po/w :	1.49

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-2.32
Solubility :	0.776 mg/ml ; 0.00482 mol/l
Class :	Soluble
Log S (Ali) :	-2.3
Solubility :	0.817 mg/ml ; 0.00507 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.65
Solubility :	0.364 mg/ml ; 0.00226 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.19

Safety of [ 2124-55-2 ]

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

Application In Synthesis of [ 2124-55-2 ]

* 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 [ 2124-55-2 ]
Downstream synthetic route of [ 2124-55-2 ]

[ 2124-55-2 ] Synthesis Path-Upstream 1~10

1
[ 2124-55-2 ]
[ 1074-86-8 ]

Reference： [1] Helvetica Chimica Acta, 1954, vol. 37, p. 1826
[2] Helvetica Chimica Acta, 1954, vol. 37, p. 1826

2
[ 39830-66-5 ]
[ 2124-55-2 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 21, p. 6226 - 6230
[2] Journal of Medicinal Chemistry, 2015, vol. 58, # 17, p. 6819 - 6843

3
[ 52488-36-5 ]
[ 2258-42-6 ]
[ 2124-55-2 ]

Reference： [1] Synthetic Communications, 2012, vol. 42, # 5, p. 658 - 666

4
[ 16136-52-0 ]
[ 2124-55-2 ]

Reference： [1] Journal of the American Chemical Society, 1949, vol. 71, p. 761,763

5
[ 83-42-1 ]
[ 2124-55-2 ]

Reference： [1] Journal of the American Chemical Society, 1949, vol. 71, p. 761,763

6
[ 24621-73-6 ]
[ 2124-55-2 ]

Reference： [1] Journal of the American Chemical Society, 1949, vol. 71, p. 761,763

7
[ 36892-19-0 ]
[ 2124-55-2 ]

Reference： [1] Journal of the American Chemical Society, 1949, vol. 71, p. 761,763

8
[ 2124-55-2 ]
[ 16176-74-2 ]

Reference： [1] Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 1195 - 1199

9
[ 2124-55-2 ]
[ 7664-93-9 ]
[ 50614-84-1 ]

Reference： [1] Helvetica Chimica Acta, 1954, vol. 37, p. 1826

10
[ 2124-55-2 ]
[ 74-88-4 ]
[ 1444-12-8 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1999, vol. 47, # 11, p. 1538 - 1548

[ 2124-55-2 ] Synthesis Path-Downstream 1~88

1
[ 2124-55-2 ]
[ 6738-17-6 ]
[ 84401-11-6 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

2
[ 2124-55-2 ]
[ 111669-24-0 ]
1-(indolyl-4-carbonyl)-4-<3-(ethylamino)-2-pyridyl>piperazine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1994,vol. 37,p. 999 - 1014

3
[ 3612-20-2 ]
[ 2124-55-2 ]
3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-4-carboxylic acid [ No CAS ]

Reference： [1]Tetrahedron,1996,vol. 52,p. 10185 - 10192

4
[ 541-59-3 ]
[ 2124-55-2 ]
[ 885320-59-2 ]

Reference： [1]Synthesis,2006,p. 711 - 715

5
[ 2124-55-2 ]
methanol. H₂SO₄ [ No CAS ]
[ 885320-65-0 ]

Reference： [1]Synthesis,2006,p. 711 - 715

6
[ 2124-55-2 ]
methanol. H₂SO₄ [ No CAS ]
1,3,4,6-tetraoxo-2,3,3a,3b,4,5,6,6a,11,11b-decahydro-1H-2,5,11-triaza-benzo[a]trindene-7-carboxylic acid [ No CAS ]

Reference： [1]Synthesis,2006,p. 711 - 715

7
[ 2124-55-2 ]
methanol. H₂SO₄ [ No CAS ]
1,3,4,6-tetrahydro-1,3,4,6-tetraone-2H,5H,7H-dipyrrolo[3,4-a:3,4-c]carbazole-11-carboxylic acid [ No CAS ]

Reference： [1]Synthesis,2006,p. 711 - 715

8
[ 2124-55-2 ]
[ 593252-34-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1897 - 1901

9
[ 2124-55-2 ]
6-[(1H-indole-4-carbonyl)-amino]-hexanoyl chloride [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1897 - 1901

10
[ 2124-55-2 ]
7-[(1H-indole-4-carbonyl)-amino]-heptanoyl chloride [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1897 - 1901

11
[ 2124-55-2 ]
1H-indole-4-carboxylic acid (5-hydroxycarbamoyl-pentyl)-amide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1897 - 1901
[2]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1897 - 1901

12
[ 2124-55-2 ]
[ 593252-40-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1897 - 1901

13
[ 2124-55-2 ]
1H-indole-4-carboxylic acid (6-hydroxycarbamoyl-hexyl)-amide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1897 - 1901
[2]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1897 - 1901

14
[ 2124-55-2 ]
6,7-dimethoxy-2-{1-[(4-indolyl)methyl]-3-piperidyl}-1,2,3,4-tetrahydroisoquinoline [ No CAS ]

Reference： [1]Chemical and pharmaceutical bulletin,2003,vol. 51,p. 390 - 398

15
[ 2124-55-2 ]
3-(4-Chloromethyl-benzoyl)-1H-indole-4-carboxylic acid benzyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 74 - 95

16
[ 2124-55-2 ]
[ 1027927-17-8 ]

Reference： [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 74 - 95

17
[ 2124-55-2 ]
[ 170498-44-9 ]

Reference： [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 74 - 95

18
[ 2124-55-2 ]
1-N,N-dimethylcarbamoyl-4-ethoxycarbonyl-3-{4-[(1H-2-methylimidazo[4.5-c]pyrid-1-yl)methyl]benzoyl}indole [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 74 - 95

19
[ 2124-55-2 ]
[ 170498-43-8 ]

Reference： [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 74 - 95

20
[ 2124-55-2 ]
[ 16176-74-2 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

21
[ 2124-55-2 ]
[ 84401-01-4 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

22
[ 2124-55-2 ]
[ 84401-07-0 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

23
[ 2124-55-2 ]
[ 76149-15-0 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

24
[ 2124-55-2 ]
[ 84401-16-1 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

25
[ 2124-55-2 ]
[ 84401-05-8 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

26
[ 2124-55-2 ]
[ 84401-06-9 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

27
[ 2124-55-2 ]
[ 84401-08-1 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

28
[ 2124-55-2 ]
[ 84401-09-2 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

29
[ 2124-55-2 ]
[ 344320-85-0 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

30
[ 2124-55-2 ]
[ 84401-13-8 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

31
[ 2124-55-2 ]
[ 84401-14-9 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

32
[ 2124-55-2 ]
[ 84401-15-0 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

33
[ 2124-55-2 ]
[ 84401-12-7 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

34
[ 2124-55-2 ]
[ 84401-03-6 ]

Reference： [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 1195 - 1199

35
[ 2124-55-2 ]
[ 1074-86-8 ]

Reference： [1]Helvetica Chimica Acta,1954,vol. 37,p. 1826
[2]Helvetica Chimica Acta,1954,vol. 37,p. 1826

36
[ 2124-55-2 ]
[ 1074-85-7 ]

Yield	Reaction Conditions	Operation in experiment
52%	With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20℃;	a) (lH-Indol-4-yl)-methanol; lH-Indole-6-carboxylic acid (1.00 g, 6.23 mmol) was dissolved into anhydrous THF (20 ml) under argon. The solution was cooled in an ice bath and lithium aluminum hydride (13.1 ml of lM solution in THF, 13.1 mmol) was added dropwise. The reaction mixture was allowed to warm to room temperature and stir overnight. The reaction mixture was cooled to O0C and ethyl acetate (10 ml) was carefully added, followed by methanol (5 ml) and water (5 ml). The mixture was stirred for 30 min and filtered through celite. The solution was concentrated and dissolved in ethyl acetate (200 ml) and washed with brine (2 x 100 ml), dried over MgSO4, filtered and concentrated to yield (lH-indol-4-yl)-methanol (471 mg, 52%) as an orange oil: 1HNMR (400 MHz, DMSO-d6) delta 11.04 (bs, IH), 7.30- 7.26 (m, 2H), 7.05-6.98 (m, 2H), 6.48-6.47 (m, IH), 5.04 (t, J= 4.0 Hz, IH), 4.74 (d, J= 8.0 Hz, 2H).

Reference： [1]Patent: WO2007/53131,2007,A2 .Location in patent: Page/Page column 161
[2]Helvetica Chimica Acta,1954,vol. 37,p. 1826
[3]Helvetica Chimica Acta,1954,vol. 37,p. 1826

37
[ 83-42-1 ]
[ 2124-55-2 ]

Reference： [1]Journal of the American Chemical Society,1949,vol. 71,p. 761,763

38
[ 24621-73-6 ]
[ 2124-55-2 ]

Reference： [1]Journal of the American Chemical Society,1949,vol. 71,p. 761,763

39
[ 36892-19-0 ]
[ 2124-55-2 ]

Reference： [1]Journal of the American Chemical Society,1949,vol. 71,p. 761,763

40
[ 2124-55-2 ]
2,3-dihydro-1H-indole-4-carboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
12%	With sodium cyanoborohydride; In methanol; dichloromethane; acetic acid;	Preparation 32 1H-indoline-4-carboxylic acid To a cold (10 C.) solution containing 100 mg (0.62 mmol) of <strong>[2124-55-2]indole-4-carboxylic acid</strong> in 5 mL of acetic acid, was added 390 mg (6.2 mmol) of solid sodium cyanoborohydride. The resultant mixture was reacted at room temperature for approximately 16 hours and then diluted with water. The desired compound was extracted from this solution using methylene chloride and the organic extracts were then dried over sodium sulfate and filtered. The crude material was purified using column chromatography (silica; eluent of 1% methanol in methylene chloride) to provide 12 mg of the titled compound. (m.p. 97-98 C.). Yield: 12%. 1 H NMR (CDCl3): delta 7.48 (d, J=8.8 Hz, 1H), 7.34 (t, J=8.6 Hz, 1H), 6.88 (d, J=8.8 Hz, 1H), 3.59 (m, 4H). Analysis for C9 H9 NO2: Calcd: C, 66.25; H, 5.56; N, 8.58. Found: C, 66.36; H, 5.82; N, 8.42.
12%	With sodium cyanoborohydride; In methanol; dichloromethane; acetic acid;	PREPARATION 32 1H-indoline-4-carboxylic acid To a cold (10 C.) solution containing 100 mg (0.62 mmol) of <strong>[2124-55-2]indole-4-carboxylic acid</strong> in 5 mL of acetic acid, was added 390 mg (6.2 mmol) of solid sodium cyanoborohydride. The resultant mixture was reacted at room temperature for approximately 16 hours and then diluted with water. The desired compound was extracted from this solution using methylene chloride and the organic extracts were then dried over sodium sulfate and filtered. The crude material was purified using column chromatography (silica; eluent of 1% methanol in methylene chloride) to provide 12 mg of the titled compound. (m.p. 97-98 C.). Yield: 12%. 1 H NMR (CDCl3): delta7.48 (d, J=8.8 Hz, 1H), 7.34 (t, J=8.6 Hz, 1H), 6.88 (d, J=8.8 Hz, 1H), 3.59 (m, 4H). Analysis for C9 H9 NO2: Calcd: C, 66.25; H, 5.56; N, 8.58. Found: C, 66.36; H, 5.82; N, 8.42.
	With sodium cyanoborohydride; acetic acid; at 0 - 25℃; for 6.25h;	1H-INDOLE-4-CARBOXYLIC acid 1 (1.5 g, 9.31 MMOL) was added GLACIAL ACOH (46 mL) and cooled to 0 C. Then NACNBH3 (5. 85 G, 93.1 MMOL) was added in five portions slowly over 30 min. This mixture was left to stir at 0 C for 45 min and then allowed to warm to 25 C over 5 h. Then H20 (100 mL) was added and the aqueous layer was extracted with CH2CI2 (2 x 50 mL), (4: 1-CH2CI2 : i-Pr (4 x 50 mL), and dried (MgS04). This crude product was purified by SI02 column chromatography (2: 1-EtOAc: Hex) to give pure reduce indole product 2 which was contaminated with excess AcOH but was pure enough to take on to the next step without further PURIFICATION. HNMR (30OMHZ, CDC13) 5 7.39 (d, J = 7.9 Hz, 1H), 7.09 (t, J = 7.9 Hz, 1H), 6.82 (d, J = 7. 3 HZ, 1 H), 3.60 (t, J = 9. 1 HZ, 1 H), 3.47 (m, 1H), 3.40 (t, J= 8.1 Hz, 1H), 2.10 (AcOH, 3H), 1.20 (t, J= 7.1 Hz, 1H) ppm.

Reference： [1]Patent: US5952343,1999,A
[2]Patent: US5484926,1996,A
[3]Patent: WO2005/26114,2005,A1 .Location in patent: Page/Page column 99

41
[ 75-30-9 ]
[ 2124-55-2 ]
1-Isopropylindole-4-carbaldehyde [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In N,N-dimethyl-formamide;	Referential Example 9 1-Isopropylindole-4-carbaldehyde STR157 Step 1 Isopropyl 1-isopropylindole-4-carboxylate STR158 In 50 ml of N,N-dimethylformamide were dissolved 2.5 g of <strong>[2124-55-2]indole-4-carboxylic acid</strong>, followed by the addition of 6.3 g of 2-iodopropane. Under ice cooling, sodium hydride (60% oily) was added in portions and the resulting mixture was stirred at room temperature for 10 hours. Ice was added to the reaction mixture and the resulting mixture was extracted with ethyl acetate. The organic layer was dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The residue was subjected to chromatography on a silica gel column, whereby 2.6 g of the title compound were obtained in the form of a yellow oil. 1 H-NMR (CDCl3, 400 MHz) delta; 1.43(d,J=6.4 Hz,6H), 1.54(d,J=6.4 Hz,6H), 4.72(hept.,J=6.8 Hz,1H), 5.34(hept.,J=6.0 Hz,1H), 7.16(dd,J=0.8,3.6 Hz,1H), 7.24(t,J=8.0 Hz,1H), 7.57(dd,J=0.8,8.4 Hz,1H), 7.90(dd,J=1.2,7.6 Hz,1H).

Reference： [1]Patent: US5977108,1999,A

42
[ 2124-55-2 ]
ethereal diazomethane [ No CAS ]
[ 39830-66-5 ]

Yield	Reaction Conditions	Operation in experiment
98%	With magnesium sulfate; In methanol; diethyl ether; chloroform;	C. 1H-<strong>[2124-55-2]Indole-4-carboxylic acid</strong>, methyl ester To a solution of <strong>[2124-55-2]indole-4-carboxylic acid</strong> (506 mg, 3.14 mmol) dissolved in a mixture of methanol (5 mL) and diethyl ether (10 mL) was added ethereal diazomethane until disappearance of starting acid was indicated by TLC. Anhydrous magnesium sulfate was then added and the solution filtered and concentrated in vacuo. Flash chromatography on 10 g of Merck silica gel eluted with 2:1, chloroform:hexanes, followed by 10:1, chloroform:diethyl ether afforded the title compound (540 mg, 98%).
98%	With magnesium sulfate; In methanol; diethyl ether; chloroform;	A. 1H-<strong>[2124-55-2]Indole-4-carboxylic acid</strong>, methyl ester To a solution of <strong>[2124-55-2]indole-4-carboxylic acid</strong> (506 mg, 3.14 mmol) dissolved in a mixture of methanol (5 mL) and diethyl ether (10 mL) was added ethereal diazomethane until disappearance of starting acid was indicated by TLC. Anhydrous magnesium sulfate was then added and the solution filtered and concentrated in vacuo. Flash chromatography on 10 g of Merck silica gel eluted with 2:1, chloroform:hexanes, followed by 10:1, chloroform:diethyl ether afforded the title compound (540 mg, 98%).

Reference： [1]Patent: US5236916,1993,A
[2]Patent: US5616591,1997,A

43
[ 2124-55-2 ]
ethereal diazo methane [ No CAS ]
[ 39830-66-5 ]

Yield	Reaction Conditions	Operation in experiment
98%	With magnesium sulfate; In methanol; diethyl ether; chloroform;	1. 1H-<strong>[2124-55-2]Indole-4-carboxylic acid</strong>, methyl ester To a solution of <strong>[2124-55-2]indole-4-carboxylic acid</strong> (506 mg, 3.14 mmol) dissolved in a mixture of methanol (5 mL) and diethyl ether (10 mL) was added ethereal diazomethane until disappearance of the starting acid was indicated by TLC. Magnesium sulfate was then added and the solution filtered and concentrated in vacuo. Flash chromatography on Merck silica gel (10 g) eluted with 2:1, chloroform:hexanes, followed by 10:1, chloroform: ether afforded the title compound (540 mg, 98%).

Reference： [1]Patent: US5208235,1993,A

44
[ 186581-53-3 ]
[ 2124-55-2 ]
[ 39830-66-5 ]

Yield	Reaction Conditions	Operation in experiment
		Step 1: 4-methoxycarbonylindole. To a 0 C. solution of <strong>[2124-55-2]indole-4-carboxylic acid</strong> (1.00 g, 6.21 mmol) in ether (60 mL) was added diazomethane (0.3M solution in ether, 24.8 mL, 7.45 mmol) and the reaction mixture was stirred for 0.5 hours at 0 C. An additional 20 mL of diazomethane solution was then added and stirring was continued for 1 hour at 0 C. The reaction mixture was quenched with formic acid (1.0 mL) and concentrated in vacuo to give 4-methoxycarbonylindole (1.1 g) as an off white powder.

Reference： [1]Patent: US5486525,1996,A

45
[ 2124-55-2 ]
[ 75-26-3 ]
[ 175676-01-4 ]

Yield	Reaction Conditions	Operation in experiment
		Step 1: 4-(2-propyloxycarbonyl)indole. The desired compound was prepared according to the method of Example 176, except substituting <strong>[2124-55-2]indole-4-carboxylic acid</strong> for 1-N,N-dimethylcarbamoyl-3-{4-[(1H-2-methylimidazo[4.5-c]pyrid-1-yl)methyl]benzoyl}<strong>[2124-55-2]indole-4-carboxylic acid</strong>, and substituting 2-bromopropane for bromoethane.

Reference： [1]Patent: US5486525,1996,A

46
[ 2124-55-2 ]
[ 24424-99-5 ]
2,3-dihydro-indole-1,4-dicarboxylic acid 1-tert-butyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; sodium cyanoborohydride; In methanol;	Preparation 82 To a solution of <strong>[2124-55-2]indole-4-carboxylic acid</strong> (500 mg) in methanol (9 ml) and conc. hydrochloric acid (1.0 ml) was added a portion of sodium cyanoborohydride (487 mg) at 0 C. and the mixture was stirred at ambient temperature for 1 hour. The suspension was diluted with water (10 ml) and then the clear solution was neutralized with 2N sodium hydroxide aqueous solution. Methanol was removed and the aqueous solution was diluted with dioxane (15 ml) and 1N sodium hydroxide aqueous solution (10 ml). To the mixture was added portionwise di-tert-butyl dicarbonate (813 mg) and the solution was stirred at ambient temperature for 2 hours. The solution was neutralized with 1N hydrochloric acid and diluted with ethyl acetate (30 ml). The resulting solution was washed with brine, dried over magnesium sulfate and concentrated in vacuo. The solid was triturated with diethyl ether:n-hexane (1:9) to give 1-tert-butoxycarbonylindoline-4-carboxylic acid (727 mg). NMR (DMSO-d6, delta): 1.50 (9H, s), 3.36 (2H, t, J=9Hz), 3.92 (2H, t, J=9Hz), 7.27 (1H, t, J=8Hz), 7.49 (1H, d, J=8Hz), 7.80-7.94 (1H, br)

Reference： [1]Patent: US6207693,2001,B1

47
[ 2124-55-2 ]
[ 1034021-90-3 ]
[ 1034020-88-6 ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20℃; for 18h;	To a solution of 1- (2-aminoethyl) -5- (diphenylmethyl) -2 (IH) -pyridinone (75.0 mg) , a mixture of <strong>[2124-55-2]indole-4-carboxylic acid</strong> (39.7 mg), HOBt (36.6 mg) and DMF (3.OmL) was added WSCD- HCl (52.0 mg) at ambient temperature and the mixture was stirred at the same temperature for 18 hours. The resulting mixture was diluted with water (10.0 mL) and extracted with EtOAc (15 mL) . The organic layer was washed successively with IM HCl aqueous solution, saturated NaHC03 aqueous solution and brine, dried over anhydrous MgSO4, filtered and evaporated in vacuo. The residue was purified by preparative thin-layer chromatography (chloroform:MeOH=90 : 10) to afford N-{2-[5- (diphenylmethyl) -2-oxo-l (2H) -pyridinyl] ethyl } -IH-indole-4- carboxamide (65 mg) as a yellow amorphous powder. 1H-NMR (CDCl3) delta : 3.83 (2H,dt,J=5.1,5.8Hz) ,4.21 (2H, t, J=5.8Hz) ,5 .16 (IH, s) , 6.55 (IH, d, J=9.4Hz) , 6.85 (IH, d, J=2. IHz) , 6.97-7.04 (4 H,m) ,7.15-7.28 ( 1OH, m) ,7.31 (IH, t, J=2.8Hz) , 7.46 (IH, d, J=7.4Hz) ,7.52 (lH,d, J=8.1Hz) ,8.41-8.48 (lH,brs) . MS(ESI, m/z) :448 (M+H)+.

Reference： [1]Patent: WO2008/72784,2008,A1 .Location in patent: Page/Page column 99

48
[ 2124-55-2 ]
[ 1035216-81-9 ]
[ 1035214-86-8 ]

Yield	Reaction Conditions	Operation in experiment
35.7%		Example No.10: Preparation of 3-(3-chloro-4-isopropoxyphenyl)-5-(lH-indol-4-yl)-l,2,4- oxadiazole; Under an atmosphere of nitrogen a mixture of lH-<strong>[2124-55-2]indole-4-carboxylic acid</strong> (3.88 g, 24.05 mmol), (3-dimethylamino-propyl)-ethyl-carbodiimide hydrochloride (4.61 g, 24.05 mmol) and benzotriazol-1-ol hydrate (3.68 g, 24.05 mmol) in anhydrous DMF (61.4 ml) was stirred at ambient temperature for about Ih. To the reaction mixture a solution of 3-chloro-N- hydroxy-4-isopropoxybenzamidine (5.0g, 21.87 mmol) in DMF (11.51 ml) was added. The mixture was stirred and heated at about 1400C for about 2h. The mixture was cooled to ambient temperature and poured into water (IL). The product was partitioned between ethyl acetate and the aqueous phase. The organic layer washed with IN HCl (4x15OmL), IN NaOH (2x15OmL) and water (2x300mL), dried over MgSO4 and filtered. The solvent was removed under reduced pressure and the crude product was purified by elution through Florisil with heptane/ethyl acetate (2: 1) to give 3-(3-chloro-4-isopropoxyphenyl)-5-(lH-indol-4-yl)-l,2,4- oxadiazole (2.76 g, 35.7 %). LCMS (Table 1, Method b) Rt = 2.69 min, m/z 354.17 (M+H)+.

Reference： [1]Patent: WO2008/76356,2008,A1 .Location in patent: Page/Page column 99

49
[ 2124-55-2 ]
[ 141104-65-6 ]
[ 1092447-47-6 ]

Yield	Reaction Conditions	Operation in experiment
52%	With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃;	EXAMPLE 55; 2-[flH-Indole-4-carbonyl)-aminol-indan-2-carboxylic acid ethyl ester (55):76 <n="78"/>To a solution of lH-<strong>[2124-55-2]indole-4-carboxylic acid</strong> (250mg, 1.55mmol), 2-amino-indan-2- carboxylic acid ethyl ester (318mg, 1.55mmol), HATU (886mg, 2.33mmol) in anhydrous DMF (8mL) is added DIPEA (385muL, 2.33mmol). The resulting solution is stirred at RT overnight. After the removal of DMF in vacuo, the residue is dissolved in EtOAc (4OmL) and washed with water (I x 1OmL) and brine (2 x 1OmL). The organic layer is dried over anhydrous Na2SO4 and concentrated in vacuo. The residue is purified by flash column chromatography (115g silica gel, gradient elution: 5-60% EtOAc in heptane) to give a pure product (55) as white solid (278mg, 52%).1H NMR (CDCl3, 300MHz): delta 1.24(t, 3H), 3.46(d, 2H), 3.78(d, 2H), 4.26(q, 2H), 6.78(m, IH), 7.14-7.25(m, 6H), 7.46-7.49(m, 2H), 8.65(s, IH) LC/MS (ES+) m/z = 349.14

Reference： [1]Patent: WO2008/151211,2008,A1 .Location in patent: Page/Page column 76-77

50
[ 109-02-4 ]
[ 2124-55-2 ]
[ 1160942-22-2 ]
[ 1160942-18-6 ]

Yield	Reaction Conditions	Operation in experiment
	With N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In ethyl acetate; N,N-dimethyl-formamide;	Step 2 (E)-3,5-diamino-6-chloro-N-(8-azaspiro[bicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-ylidene)pyrazine-2-carboxamide (170 mg, 0.49 mmol) is dissolved in DMF (10 ml) along with HATU (184 mg, 0.49 mmol) and <strong>[2124-55-2]4-indole-carboxylic acid</strong> (78 mg, 0.49 mmol). N-Methyl morpholine (160 ml, 1.45 mmol) is added and the solution stirred at room temperature overnight. The mixture is then concentrated in vacuo. EtOAc (100 ml) is added and the solution washed with water (100 ml). The organic phase is dried (MgSO4) and concentrated in vacuo. Purification by flash chromatography (SiO2, DCM/MeOH) gives the title compound as a yellow solid; [M+H]+ 494.15, 496.27 for Cl isotopes.

Reference： [1]Patent: US2011/98311,2011,A1

51
[ 2124-55-2 ]
[ 1160942-22-2 ]
[ 1160942-18-6 ]

Yield	Reaction Conditions	Operation in experiment
	With 4-methyl-morpholine; HATU; In N,N-dimethyl-formamide; at 20℃;	Step 2 (E)-3,5-diamino-6-chloro-N-(8-azaspiro[bicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-ylidene)pyrazine-2-carboxamide (170 mg, 0.49 mmol) is dissolved in DMF (10 ml) along with HATU (184 mg, 0.49 mmol) and <strong>[2124-55-2]4-indole-carboxylic acid</strong> (78 mg, 0.49 mmol). N-Methyl morpholine (160 ml, 1.45 mmol) is added and the solution stirred at room temperature overnight. The mixture is then concentrated in vacuo. EtOAc (100 ml) is added and the solution washed with water (100 ml). The organic phase is dried (MgSO4) and concentrated in vacuo. Purification by flash chromatography (SiO2, DCM/MeOH) gives the title compound as a yellow solid; [M+H]+ 494.15, 496.27 for Cl isotopes.
	With 4-methyl-morpholine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃;	(E)-3,5-diamino-6-chloro-N-(8-azaspiro[bicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-ylidene)pyrazine-2-carboxamide (170 mg, 0.49 nmol) is dissolved in DMF (10 ml) along with HATU (184 mg, 0.49 mmol) and <strong>[2124-55-2]4-indole-carboxylic acid</strong> (78 mg, 0.49 mmol). N-Methyl morpholine (160 ml, 1.45 mmol) is added and the solution stirred at room temperature overnight. The mixture is then concentrated in vacuo. EtOAc (100 ml) is added and the solution washed with water (100 ml). The organic phase is dried (MgSO4) and concentrated in vacuo. Purification by flash chromatography (SiO2, DCM/MeOH) gives the title compound as a yellow solid; [M+H]+ 494.15, 496.27 for Cl isotopes.

Reference： [1]Patent: US2010/130506,2010,A1 .Location in patent: Page/Page column 107
[2]Patent: US2015/231142,2015,A1 .Location in patent: Paragraph 2453

52
[ 2124-55-2 ]
[ 771573-45-6 ]
[ 1239447-55-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2010,vol. 18,p. 4801 - 4811

53
[ 2124-55-2 ]
[ 1238071-94-7 ]
[ 1238070-21-7 ]

Yield	Reaction Conditions	Operation in experiment
74%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20℃; for 20h;	Example 11 : 1H-lndote-4-carboxylic acid f(SH-befuyl-3~Kpyridine-2-carbony?»amino1- propyl)-roethyl-arnide:Pyridiotane-2-carboxyliotac acid ((S)~3-methylamiotano-4-phenyl-butyl)-amide hydrochloride (85 mg, 0.27 mmol), 1H-indole-4-carboxyiic acid (51 mg. 0 32 mmol), HOBt (49 mg, 0 32 mmol), EDC x HCI (76 mg, 0.40 mmol), and triethylamine (108 mg, 1.06 mmol) were dissolved in DCM (5 0 ml) and stirred at rt for 20 h. Then, the mixture was diluted with EtOAc washed with NaHCO3- and NaCI-soln. dried (Na2SO4), filtered and concentrated. The crude product was purified by chromatography (Flashmaster, Hex to EtOAc over 45 mm ) to yield 84 mg (74%) of the title compound as white solid. [1 H-NMR (DMSO 600 MHz) 11 22/11.18 (s, 1H), 8 97/8.64 (t, 1 H), 8 64/8.57 (d, 1 H)1 8 05-7 91 (m, 2H), 7 60-7.54 (m, 1 H), 7.37-6.35 (m. 7H)1 6 21/5.67 (s, 1H), 5.13/3.64 (br s, 1H), 3.56-3 20 (m, 4H), 3 05/2 59 (s, 3H). 2 99-2 75 (m, 2H), 1.96-1 42 (m, 2H); LCMS RtA * 2.358 mm, [M+Hf ~ 427 2).

Reference： [1]Patent: WO2010/86366,2010,A1 .Location in patent: Page/Page column 50

54
[ 2124-55-2 ]
[ 1238072-08-6 ]
[ 1238070-09-1 ]

Yield	Reaction Conditions	Operation in experiment
47%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20℃; for 20h;	Example 3: i-Wethvi-1H-benzQimidazoie-Sigma-carboxylic acid ((Si-3-ff1H-indote-4- carbonv?-mbetathvl-amino1-4-phenvt»butvl>;-amide:1-Methyl-1H-benzoiotamiotadazole-2-carboxyliotac acid ((S)-3-methylamino-4-phenyl-butyl)-amide hydrochloride (90 mg, 0 22 mmol), 1 H-<strong>[2124-55-2]indole-4-carboxylic acid</strong> (43 mg, 0.26 mmol), HOEJt (40 mg, 0.26 mmol). EDC x HCI (63 mg, 0 33 mmol), and t?ethylamine (89 mg, 0.88 mmol) were dissolved in DCM (5 ml) and stirred at rt for 20 h Then the mixture was diluted with EtOAc, washed with NaHCO3- and NaCI-soln., dried (Na2SO4), filtered and concentrated The crude product was purified by chromatography (Flashmaster, Hex to EtOAc over 45 mm ) to yield 50 mg (47%) of the title compound as beige solid [1 H-NMR (DMSO, 600 MHz) 11 20 (d, 1H), 9 06/8 90 (t, 1H) 7.74-7 65 (m, 2H). 7.40-6.39 (m, 11H) 6 17/5.68 (S, 1 H), 5 14/3.66 (br s, 1 H)1 4 13/4 02 (s, 3H), 3 50-3 20 (m, 2H). 3 05/2 60 (s, 3H), 3.0-2 81 (m. 2H) 1 98-1 81/1 53-1 45 (m, 2H), LCMS R^ = 2 824 mm; [M+H]' = 480 2]

Reference： [1]Patent: WO2010/86366,2010,A1 .Location in patent: Page/Page column 45

55
[ 2124-55-2 ]
[ 13358-73-1 ]
[ 918803-34-6 ]

Yield	Reaction Conditions	Operation in experiment
18%		To lH-<strong>[2124-55-2]Indole-4-carboxylic acid</strong> (611, 251 mg, 1.56 mmol) in tetrahydrofuran (3 mL), was added 2.5M n-butyllithium in hexane (1.28 mL, 3.19 mmol) at -78 0C. After 30 minutes, dibutyl carbamyl chloride (657 mg, 3.43 mmol) was added and stirred for two hours. The reaction solution was quenched with IM HCl (aq.) and extracted with ethyl acetate. The organic layer was washed with brine, dried over anhydrous magnesium sulfate, filtrated and concentrated. The desired EPO <DP n="200"/>compound was isolated with silica gel column chromatography using 10% ethyl acetate in hexane to give a white solid (612, 88 mg, 18%). MS(ESI) [M-H+]-= 315.1.

Reference： [1]Patent: WO2007/2325,2007,A1 .Location in patent: Page/Page column 198-199

56
[ 2124-55-2 ]
[ 1227753-14-1 ]
[ 1227753-04-9 ]

Reference： [1]ACS Medicinal Chemistry Letters,2010,vol. 1,p. 199 - 203

57
[ 4318-42-7 ]
[ 2124-55-2 ]
(1H-indol-4-yl)-(4-isopropyl-piperazin-1-yl)-methanone [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 6226 - 6230

58
[ 39830-66-5 ]
[ 2124-55-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 6226 - 6230
[2]Journal of Medicinal Chemistry,2015,vol. 58,p. 6819 - 6843

59
[ 2124-55-2 ]
[ 727385-55-9 ]
[ 1222784-78-2 ]

Reference： [1]Journal of Medicinal Chemistry,2010,vol. 53,p. 7392 - 7404

60
[ 2124-55-2 ]
C₉₀H₁₀₆N₉O₁₅PolS [ No CAS ]
[ 1268717-58-3 ]

Reference： [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 1308 - 1313

61
[ 110-91-8 ]
[ 2124-55-2 ]
[ 65923-23-1 ]

Yield	Reaction Conditions	Operation in experiment
92%		. (1 H-lndol-4- l)-morpholin-4-yl-methanoneTo a mixture of 1 H-<strong>[2124-55-2]indole-4-carboxylic acid</strong> (1 .0 g, 6.2 mmol) in THF (10 ml_) under nitrogen is added carbonyl diimidazole (1 .1 g, 6.8 mmol). After stirring 0.5 h at ambient temperature, morpholine (0.7 g, 8.1 mmol) is added. After stirring for 2h, the reaction is quenched with 5% aqueous HCI and extracted with EtOAc. The combined organic layers are washed with aqueous saturated NaHCO3 solution, dried over MgSO4, filtered and concentrated in vacuo. The resulting solid is recrystallized from EtOAc/heptane to yield the titled compound (1 .3 g, 92%) as a beige solid (mp 127- 129 C).1 H NMR (300 MHz, CDCI3) delta 8.36 (s, 1 H), 7.45 (m, 1 H), 7.24 (m, 4H), 3.43 (m, 8H); MS 231 (M+1 ).

Reference： [1]Patent: WO2011/79102,2011,A1 .Location in patent: Page/Page column 210-211

62
[ 2124-55-2 ]
[ 1313043-53-6 ]

Reference： [1]Patent: WO2011/79102,2011,A1

63
[ 2124-55-2 ]
[ 1313043-54-7 ]

Reference： [1]Patent: WO2011/79102,2011,A1

64
[ 52488-36-5 ]
[ 2258-42-6 ]
[ 2124-55-2 ]

Reference： [1]Synthetic Communications,2012,vol. 42,p. 658 - 666

65
[ 2124-55-2 ]
C₁₉H₂₀N₄O₃ [ No CAS ]

Reference： [1]Tetrahedron Letters,2012,vol. 53,p. 1313 - 1315

66
[ 2124-55-2 ]
C₂₅H₂₄N₄O₃ [ No CAS ]

Reference： [1]Tetrahedron Letters,2012,vol. 53,p. 1313 - 1315

67
[ 2124-55-2 ]
C₁₉H₂₀N₄O₃ [ No CAS ]

Reference： [1]Tetrahedron Letters,2012,vol. 53,p. 1313 - 1315

68
[ 2124-55-2 ]
C₁₉H₁₈N₄O₂ [ No CAS ]

Reference： [1]Tetrahedron Letters,2012,vol. 53,p. 1313 - 1315

69
[ 2124-55-2 ]
[ 1029649-48-6 ]
[ 72155-45-4 ]
[ 1374997-24-6 ]

Yield	Reaction Conditions	Operation in experiment
47%	In dichloromethane; at 20℃;	General procedure: A mixture of (S)-tert-butyl (3-methyl-1-oxobutan-2-yl)carbamate (0.403 g, 2.0 mmol, 1.0 equiv), butyric acid (0.176 g, 2.0 mmol, 1.0 equiv) and tert-butyl (2-isocyanophenyl)carbamate 5 (0.437, 2.0 mmol, 1.0 equiv) in DCM (2 mL, 1.0 M) was stirred at rt overnight. After removal of the solvent under reduced pressure, the residue was purified by silica-gel column chromatography (EtOAc-hexane, 0-30%) using an ISCO purification system to afford (3S)-3-((tert-butoxycarbonyl)amino)-1-((2-((tert-butoxycarbonyl)amino)phenyl)amino)-4-methyl-1-oxopentan-2-yl butyrate (0.640 g, 1.260 mmol, 63% yield).

Reference： [1]Tetrahedron Letters,2012,vol. 53,p. 1313 - 1315

70
[ 2124-55-2 ]
[ 1029649-48-6 ]
[ 79069-50-4 ]
[ 1374996-92-5 ]

Yield	Reaction Conditions	Operation in experiment
66%	In dichloromethane; at 20℃;	General procedure: A mixture of (S)-tert-butyl (3-methyl-1-oxobutan-2-yl)carbamate (0.403 g, 2.0 mmol, 1.0 equiv), butyric acid (0.176 g, 2.0 mmol, 1.0 equiv) and tert-butyl (2-isocyanophenyl)carbamate 5 (0.437, 2.0 mmol, 1.0 equiv) in DCM (2 mL, 1.0 M) was stirred at rt overnight. After removal of the solvent under reduced pressure, the residue was purified by silica-gel column chromatography (EtOAc-hexane, 0-30%) using an ISCO purification system to afford (3S)-3-((tert-butoxycarbonyl)amino)-1-((2-((tert-butoxycarbonyl)amino)phenyl)amino)-4-methyl-1-oxopentan-2-yl butyrate (0.640 g, 1.260 mmol, 63% yield).

Reference： [1]Tetrahedron Letters,2012,vol. 53,p. 1313 - 1315

71
[ 2124-55-2 ]
[ 73732-51-1 ]
[ 1357582-02-5 ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 2163 - 2172

72
[ 2124-55-2 ]
[ 1035216-81-9 ]
[ 1035214-86-8 ]

Yield	Reaction Conditions	Operation in experiment
35.7%		Example No.5: Preparation of 3-(3-chloro-4-isopropoxyphenyl)-5-(l//-indol-4-yl)-l,2,4- oxadiazole; Under an atmosphere of nitrogen a mixture of l//-<strong>[2124-55-2]indole-4-carboxylic acid</strong> (3.88 g, 24.05 mmol), (3-dimethylamino-propyl)-ethyl-carbodiimide hydrochloride (4.61 g, 24.05 mmol) and benzotriazol-l-ol hydrate (3.68 g, 24.05 mmol) in anhydrous DMF (61.4 mL) was stirred at ambient temperature for about 1 h. To the reaction mixture a solution of 3-chloro-/V- hydroxy-4-isopropoxybenzamidine (5.0g, 21.87 mmol) in DMF (11.51 mL) was added. The mixture was stirred and heated at about 140 C for about 2 h. The mixture was cooled to ambient temperature and poured into water (1L). The product was partitioned between ethyl acetate and the aqueous phase. The organic layer washed with IN HC1 (4 x 150 mL), IN NaOH (2 x 150 mL) and water (2 x 300 mL), dried over MgS04 and filtered. The solvent was removed under reduced pressure and the crude product was purified by elution through Florisil with heptane/ethyl acetate (2:1) to give 3-(3-chloro-4-isopropoxyphenyl)-5-(lH-indol- 4-yl)-l,2,4-oxadiazole (2.76 g, 35.7 %). LC/MS (Table 1, Method b) Rt = 2.69 min, m/z 354.17 (M+H)+.

Reference： [1]Patent: WO2011/71570,2011,A1 .Location in patent: Page/Page column 126-127

73
[ 2124-55-2 ]
[ 1311255-49-8 ]
[ 1311258-44-2 ]

Yield	Reaction Conditions	Operation in experiment
		Preparation No.58: Preparation of (R)-5-(lH-indol-4-yl)-3-(4-(tetrahydrofuran-3-yloxy)-3- (trifluoromethyl)phenyl)-l,2,4-oxadiazole; A mixture of l//-<strong>[2124-55-2]indole-4-carboxylic acid</strong> (0.611 g, 3.79 mmol), EDCI hydrochloride(0.727 g, 3.79 mmol) and HOBT hydrate (0.580 g, 3.79 mmol) in anhydrous DMF (9.66 ml) was stirred at RT for about 1 hour under an atmosphere of nitrogen. A solution of (R)-N'-hydroxy-4- (tetrahydrofuran-3-yloxy)-3-(trifluoromethyl)benzimidamide (1.00 g, 3.45 mmol) in anhydrous DMF (1.823 ml) was added and the reaction mixture was stirred at approximately 140 C for about 2 hr. The reaction was cooled to RT and poured into water (200mL). The crude product was partitioned between EA and the aqueous phase. The combined organic extracts were washed with 20% brine solution and IN HC1 (2x50mL), IN NaOH (3x50mL) and water (3x50mL), then dried over MgS04, filtered and solvent removed to yield a pale brown solid 1.23g of (R)-5-(lH-indol-4-yl)-3-(4-(tetrahydrofuran-3-yloxy)-3- (trifluoromethyl)phenyl)-l,2,4-oxadiazole LC/MS (Table 1, Method c) Rt = 2.36 min, m/z 416.1 (M+H)+; .H NMR (400 MHz, DMSO-*) delta 11.7 (d, 1H), 8.39 (dd, 1H), 8.31 (d, 1H), 8.15 (s, 1H), 7.99 (dd, 1H), 7.79 (td, 1H), 7.69 (m, 1H), 7.53 (d, 1H), 7.35 (m, 1H), 7.18 (ddd, 1H), 5.36 (m, 1H), 3.82 (m, 4H), 2.31 (dd, 2H), 1.99 (s, 2H).

Reference： [1]Patent: WO2011/71570,2011,A1 .Location in patent: Page/Page column 186-187

74
[ 2124-55-2 ]
[ 1309060-47-6 ]
[ 1309060-60-3 ]

Reference： [1]Journal of Medicinal Chemistry,2014,vol. 57,p. 2942 - 2952

75
[ 2124-55-2 ]
1H-indole-4-carbohydrazide [ No CAS ]

Reference： [1]Journal of Chemical Research,2015,vol. 39,p. 296 - 299
[2]Patent: CN104529863,2017,B
[3]Patent: CN104496883,2017,B

76
[ 2124-55-2 ]
C₂₆H₂₀N₆O₂ [ No CAS ]

Reference： [1]Journal of Chemical Research,2015,vol. 39,p. 296 - 299

77
[ 67-56-1 ]
[ 2124-55-2 ]
[ 39830-66-5 ]

Yield	Reaction Conditions	Operation in experiment
99%	With sulfuric acid; at 80℃;	To a 50 mL three-necked flask was added 9 mmol of 1a, 10 ml of anhydrous methanol, 0.5ml concentrated sulfuric acid, heated at 80 C for 2-3 hours (TLC monitoring reaction). The reaction was allowed to cool to room temperature, poured into ice water, Na2CO3 neutralized to pH ? 7, filtered and dried to give white solid 2a, yield 91% ~ 99%.
	With sulfuric acid; at 80℃;	General procedure: H2SO4 (98%) (0.5mL) was added to a stirred solution of raw material1 in CH3OH (10mL) at room temperature and the mixture was then stirred for 2-3 h at 80 C. TLC was used to monitor the reaction progress until it was complete. A large amount of ice water was then added to the mixture. A saturated solution of sodium carbonate was used to neutralise the mixture until white solid appeared. After filtering the mixed solution, compounds 2a-h (yield 91-99) were obtained.
	With sulfuric acid; at 80℃;	General procedure: In a 50 mL three-necked flask, 9 mmol la_lh was added, 10 ml of anhydrous methanol, 0.5ml concentrated sulfuric acid, Heating at 80 C for 2-3 hours (TLC monitoring reaction process), The reaction was allowed to cool to room temperature, Poured into ice water, Na2C03 neutralization to PH ~ 7, filtration, dry, A white solid 2a-2h, Yield 91% ~ 99%

	With sulfuric acid; at 80℃;	General procedure: In a 50 mL three-necked flask was added 9 mmol la-ld, 10 ml of anhydrous methanol, 0.5 ml of concentrated sulfuric acid,Refluxed at 80 C for 2-3 h (TLC monitored the progress of the reaction), The reaction was cooled to room temperature, poured into ice water, Na2CO3 and PH to 7, filtered and dried to give a white solid 2 a -2 d, yield 91% to 99%.
	With sulfuric acid; at 80℃;	In a 50 mL three-necked flask, 9 mmol of 1a-1c, 10 ml of anhydrous methanol, 0.5 ml of concentrated sulfuric acid, Heating at reflux temperature of 80 C for 2-3h (TLC monitoring reaction process), the reaction was cooled to room temperature, poured into ice water, Na2C03 neutralized to pH ~ 7, filtered and dried to give white solid 2a-2c, yield 91 % ~ 99%.

Reference： [1]Patent: CN104592085,2017,B .Location in patent: Paragraph 0031-0035
[2]Journal of Chemical Research,2015,vol. 39,p. 296 - 299
[3]Patent: CN104496883,2017,B .Location in patent: Paragraph 0036; 0039-0040
[4]Patent: CN104513190,2017,B .Location in patent: Paragraph 0032-0038
[5]Patent: CN104529863,2017,B .Location in patent: Paragraph 0035-0039

78
[ 2124-55-2 ]
[ 75-31-0 ]
N-isopropyl-1H-indole-4-carboxamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 6819 - 6843

79
[ 2124-55-2 ]
[ 5619-07-8 ]
methyl (1H-indole-4-carbonyl)phenylalaninate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
41%	With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 25℃; for 18h;	Example 44.1. Preparation of (1H-indole-4-carbonyl)phenylalanine.DL-Methyl phenylalaninate hydrochloride (1.38 g; 6.4 mmol;Chem-Impex), 1H-indone-4-carboxylic acid (0.97 g; 6 mmol; Chem-Impex,) and N,Ndiisopropylethylamine (3.3 mL, 18.9 mmol; Aldrich) were dissolved in DMF(7.5 mL; Aldrich). To the solution was added T3P solution (7.35 mL, 12.3 mmol) drop-wise. The brown clear solution was stirred at 25C for 18 hours. 0.5N HC1 (20 mL) was added followed by ethyl acetate (80 mL), separated, and the organic layer was washed with iN HC1 (2 x 20 mL) followed by saturated aqueous sodium bicarbonate (2 x 30 mL), and dried over anhydrous sodiumsulfate to give methyl (1H-indole-4-carbonyl)phenylalaninate (0.79 g, yield4 1%). It was treated with lithium hydroxide (0.31 g; 7.35 mmol; Alfa Aesar)14 mL of 3:3:1 MeOH-THF-H20 at room temperature for 14 hours. Thevolatiles were removed under reduced pressure and the residue was treated byiN HC1 (10 mL), washed with water, ether and dried under vacuum to give 1H-indole-4-carbonyl)phenylalanine (0.75 g, yield 99%).MS (MALDI): calculated: m/z 309.34 (MW); found: 309.05, 331.03 (M+Na).

Reference： [1]Patent: WO2015/120320,2015,A1 .Location in patent: Page/Page column 95

80
[ 2124-55-2 ]
(1H-indole-4-carbonyl)phenylalanine [ No CAS ]

Reference： [1]Patent: WO2015/120320,2015,A1

81
[ 2124-55-2 ]
N-(1-((2-methoxyphenyl)amino)-1-oxo-3-phenylpropan-2-yl)-1H-indole-4-carboxamide [ No CAS ]

Reference： [1]Patent: WO2015/120320,2015,A1

82
[ 123-91-1 ]
[ 2124-55-2 ]
3-(1,4-dioxan-2-yl)-1H-indole-4-carboxylic acid [ No CAS ]

Reference： [1]Organic Letters,2015,vol. 17,p. 4726 - 4729

83
[ 2124-55-2 ]
[ 1147550-11-5 ]
3-thiocyanato-1H-indole-4-carboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
27%	With TiO2/MoS2; In acetonitrile; at 20℃; for 36h;Irradiation;	General procedure: To a solution of indole 1 (0.2 mmol) and ammonium thiocyanate (0.6 mmol) in CH3CN (2 mL) was added TiO2/MoS2 (10: 1, molar ratio, 20 mg). The reaction mixture was stirred under a 14 W CFL irradiation at room temperature for a certain time. After reaction (monitored by TLC), ethyl acetate was added, and the solid catalyst was recovered by centrifugation. The reaction mixture was extracted with ethyl acetate and washed with water. The combined organic phase was then dried over Na2SO4 and concentrated under reduced pressure to give the crude residue, which was purified by column chromatography with petroleum ether/ethyl acetate to afford the pure thiocyanated product 2. The recovered catalyst was then washed with ethanol and deionized water, dried under vacuum, and reused for the next run.

Reference： [1]Tetrahedron Letters,2016,vol. 57,p. 1771 - 1774

84
[ 2124-55-2 ]
[ 252881-74-6 ]
tert-butyl 1-(1H-indol-4-yl)-1-oxo-5,8,11-trioxa-2-azatetradecan-14-oate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
66%	With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; for 16h;	To a mixture of <strong>[2124-55-2]1H-<strong>[2124-55-2]indole-4-carboxylic acid</strong></strong> (322 mg, 2.00 mmol), tert-butyl 3-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)propanoate (554 mg, 2.00 mmol), and diisporopylethylamine (700 muL, 4.00 mmol) in DMF (3 mL) was added HATU (950 mg, 2.50 mmol) and the solutions stirred for 16 h. The solvent was removed and the resulting residue was purified by silica gel chromatography, using a gradient of 70% to 100% EtOAc in hexanes as eluent and the solvent removed. This gave 557 mg (66%) of the product.

Reference： [1]Patent: US9301951,2016,B2 .Location in patent: Page/Page column 355

85
[ 2124-55-2 ]
[ 252881-74-6 ]
N-(2-(2-(2-hydroxyethoxy)ethoxy)ethyl)-1-(3-(4-(piperidin-1-yl)-2-(4-(3-(trifluoromethyl)benzylcarbamoyl)pyridin-2-yl)phenylcarbamoyl)benzyl)-1H-indole-4-carboxamide bis(trifluoroacetate) [ No CAS ]

Reference： [1]Patent: US9301951,2016,B2

86
[ 2124-55-2 ]
C₂₆H₂₀N₆O₂ [ No CAS ]

Reference： [1]Patent: CN104592085,2017,B
[2]Patent: CN104496883,2017,B
[3]Patent: CN104513190,2017,B
[4]Patent: CN104529863,2017,B

87
[ 2124-55-2 ]
4,5,6,7-tetrahydro-2H-indazol-3-amine dihydrochloride [ No CAS ]
(3-amino-4,5,6,7-tetrahydro-2H-indazol-2-yl)(1H-indol-4-yl)methanone [ No CAS ]
(3-amino-4,5,6,7-tetrahydroindazol-1-yl)(1H-indol-4-yl)methanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
2%; 6%		[60] Into a 50-mL round-bottom flask, was placed lH-<strong>[2124-55-2]indole-4-carboxylic acid</strong> (40 mg, 0.25 mmol, 1.00 eq.), N,N-dimethylformamide (3 mL), HATU (143 mg, 0.38 mmol, 1.50 eq.), and DIEA (97 mg, 0.75 mmol, 3.00 eq.). The mixture was stirred for 30 min. Then 4,5,6,7-tetrahydro-2H-indazol-3-amine (79.8 mg, 0.38 mmol, 1.20 eq.) was added. The resulting solution was stirred overnight at room temperature. The reaction mixture was diluted with DCM (50 mL), washed with water (50mL x 3) and brine (50mL x 3), dried over anhydrous sodium sulfate, filtered and concentrated under vacuum. The residue was purified by Pre-TLC with DCM/MeOH (20: 1). The crude product was purified by Prep- HPLC with the following conditions: Column, XBridge Shield RP18 OBD Column, 5 um, 19x150 mm; mobile phase, water (0.1%FA) and ACN (30.0% ACN up to 60.0% in 7 min); Detector, UV 254 nm to give the title compounds. [61] Fraction A (Example 1): Rt=6.45 min; Yield: 1.7 mg (2%) as a light yellow solid. MS (ES, m/z) [M+H]+ : 281; iNMR (DMSO- 6, 400MHz, ppm): delta 11.42 (s, lH), 7.66-7.58 (m, 2H), 7.49-7.48 (m,lH), 7.18-7.14 (m,lH), 6.40-6.21 (m,3H), 2.37-2.30 (m,4H), 1.66 (m,4H). [62] Fraction B (Example 2): Rt=5.35 min; Yield: 4.3 mg (6%) as a gray solid. MS (ES, m/z) (0098) [M+H]+: 281; NMR (DMSO- 6, 400MHz, ppm): <5 11.30 (s, 1H), 7.55 (d, J=8.0 Hz, 1H), 7.47(d, J=6.8 Hz, 1H), 7.42-7.41 (m, 1H), 7.15-7.11 (m, 1H), 6.46 (s, 1H), 5.34 (s, 2H), 2.97-2.94 (m, 2H), 2.33-2.26 (s, 2H), 1.76-1.69 (m, 4H).

Reference： [1]Patent: WO2017/205296,2017,A1 .Location in patent: Paragraph 60; 61; 62

88
[ 2124-55-2 ]
[ 613-92-3 ]
C₁₆H₁₃N₃O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		General procedure: To a solution of carboxylic acid 1 (1.1 mmol) in dry DMSO (0.5-1 mL) CDI (195 mg, 1.2 mmol) was added. The reaction mixture was stirred at room temperature for 30 min, then amidoxime 2 (1.0 mmol) was added. The reaction mixture was stirred at room temperature for another 18 h, then to the reaction mixture powdered NaOH (1.2 mmol) was added rapidly. The reaction mixture was stirred at room temperature for 2 h. Then the reaction mixture was diluted with cold water (30 mL). The resulting precipitate was filtered off, washed with cooled water (25 mL) and dried in air at 50 C.

Reference： [1]Tetrahedron Letters,2018,vol. 59,p. 2824 - 2827

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[ CAS No. 2124-55-2 ] {[proInfo.proName]}

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[ 2124-55-2 ] Synthesis Path-Upstream 1~10

[ 2124-55-2 ] Synthesis Path-Downstream 1~88

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