[ CAS No. 98197-88-7 ] {[proInfo.proName]}

Name: 98197-88-7|2-(Hydroxymethyl)-4-nitropyridine|95%
Brand: Ambeed
SKU: A558522
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Quality Control of [ 98197-88-7 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 98197-88-7 ]

Product Details of [ 98197-88-7 ]

CAS No. :	98197-88-7	MDL No. :	MFCD07774099
Formula :	C₆H₆N₂O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HFSUHEWRFBAVHH-UHFFFAOYSA-N
M.W :	154.12	Pubchem ID :	14761455
Synonyms :

Calculated chemistry of [ 98197-88-7 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.17
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	39.19
TPSA :	78.94 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) :	-7.36 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.81
Log Po/w (XLOGP3) :	-0.17
Log Po/w (WLOGP) :	0.33
Log Po/w (MLOGP) :	-1.23
Log Po/w (SILICOS-IT) :	-0.95
Consensus Log Po/w :	-0.24

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.96
Solubility :	16.9 mg/ml ; 0.11 mol/l
Class :	Very soluble
Log S (Ali) :	-1.03
Solubility :	14.3 mg/ml ; 0.0928 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.22
Solubility :	9.29 mg/ml ; 0.0603 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.78

Safety of [ 98197-88-7 ]

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

Application In Synthesis of [ 98197-88-7 ]

* 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.

Upstream synthesis route of [ 98197-88-7 ]
Downstream synthetic route of [ 98197-88-7 ]

[ 98197-88-7 ] Synthesis Path-Upstream 1~4

1
[ 98197-88-7 ]
[ 16744-81-3 ]

Reference： [1] Inorganic Chemistry, 2015, vol. 54, # 21, p. 10141 - 10152

2
[ 98197-88-7 ]
[ 16665-43-3 ]

Reference： [1] Inorganic Chemistry, 2013, vol. 52, # 11, p. 6481 - 6501

3
[ 98197-88-7 ]
[ 131747-63-2 ]

Reference： [1] Inorganic Chemistry, 2013, vol. 52, # 11, p. 6481 - 6501

4
[ 98197-88-7 ]
[ 108338-19-8 ]

Reference： [1] Tetrahedron Letters, 2008, vol. 49, # 51, p. 7274 - 7275
[2] Chemical and Pharmaceutical Bulletin, 1990, vol. 38, # 9, p. 2446 - 2458
[3] Inorganic Chemistry, 2013, vol. 52, # 11, p. 6481 - 6501
[4] Patent: US2007/93489, 2007, A1, . Location in patent: Page/Page column 21
[5] Inorganic Chemistry, 2015, vol. 54, # 21, p. 10141 - 10152

[ 98197-88-7 ] Synthesis Path-Downstream 1~76

2
[ 98197-88-7 ]
[ 108338-19-8 ]

Yield	Reaction Conditions	Operation in experiment
		To cooled solution of oxalyl chloride (0.533 g, 4.18 mmol) in DCM (2mL) at -78 C. under nitrogen was added dimethyl sulfoxide (0.593 mL, 8.37 mmol) dropwise. After 30 minutes (4-nitro-pyridin-2-yl)-methanol (17)(0.129, 0.837 mmol) in DCM (2 mL) was added dropwise maintaining temperature at -78 C. After 2 hours the mixture was warmed to -55 C. Triethylamine (1.74 mL, 12.55 mmol) was then added and the mixture allowed to warm to room temperature over 2 hours. Brine (10 mL) was then added and the mixture extracted with DCM (4*10 mL). The combined organics were then dried over MgSO4 and concentrated in vacuo to an oil. The material was used directly without need for purification assuming quantitative conversion.

Reference： [1]Tetrahedron Letters,2008,vol. 49,p. 7274 - 7275
[2]Chemical and Pharmaceutical Bulletin,1990,vol. 38,p. 2446 - 2458
[3]Inorganic Chemistry,2013,vol. 52,p. 6481 - 6501
[4]Patent: US2007/93489,2007,A1 .Location in patent: Page/Page column 21
[5]Inorganic Chemistry,2015,vol. 54,p. 10141 - 10152

3
[ 131747-32-5 ]
[ 98197-88-7 ]

Yield	Reaction Conditions	Operation in experiment
	With methanol; sodium hydroxide; water; for 0.5h;	To a solution of acetic acid 4-nitro-pyridin-2-ylmethyl ester (16)(0.49 g, 2.5 mmol) in methanol (5 mL), was added a solution of sodium hydroxide (2N, 1.6 mL) and the reaction was stirred for 30 minutes and then concentrated in vacuo. The residue was diluted with water (10 mL) and extracted with ethyl acetate (2*10 mL). The combined extracts were washed with brine (10 mL) and concentrated in vacuo to afford a crude oil which solidified upon standing. Single peak in LC-MS analysis, (0.13 g 33%); m/z (LC-MS, ESP), RT=2.67 mins, (M+H) 155.

Reference： [1]Tetrahedron Asymmetry,2009,vol. 20,p. 1672 - 1682
[2]Chemical and Pharmaceutical Bulletin,1990,vol. 38,p. 2446 - 2458
[3]Chemical and Pharmaceutical Bulletin,2000,vol. 48,p. 1514 - 1518
[4]Patent: US2007/93489,2007,A1 .Location in patent: Page/Page column 21

4
[ 98197-88-7 ]
[ 312321-71-4 ]

Reference： [1]Molecules,2011,vol. 16,p. 5665 - 5673
[2]Chemical and Pharmaceutical Bulletin,2000,vol. 48,p. 1514 - 1518

5
[ 931-19-1 ]
[ 98197-88-7 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2000,vol. 48,p. 1514 - 1518
[2]Chemical and Pharmaceutical Bulletin,1990,vol. 38,p. 2446 - 2458
[3]Inorganic Chemistry,2013,vol. 52,p. 6481 - 6501
[4]Inorganic Chemistry,2015,vol. 54,p. 10141 - 10152
[5]Chemical Communications,2016,vol. 52,p. 11535 - 11538
[6]Journal of Biomolecular NMR,2018,vol. 70,p. 77 - 92

6
[ 98197-88-7 ]
N,N,N',N'-tetrakis(4-nitro-2-pyridylmethyl)ethylenediamine [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2000,vol. 48,p. 1514 - 1518

7
[ 5470-66-6 ]
[ 98197-88-7 ]

Yield	Reaction Conditions	Operation in experiment
97%	With trifluoroacetic anhydride; In dichloromethane; at 20℃; for 72h;	(4-nitropyridin-2-yl)methanol (i58): To a stirred solution of 2-methyl-4-nitropyridine 1 -oxide (5 g, 32.46 mmol) in DCM (50 ml_), TFAA (20.44 g, 97.40 mmol) solution in DCM was added drop wise and the reaction was stirred at room temperature for 3 days. The progress of the reaction was monitored by TLC. After completion of the reaction, the solvent was evaporated under reduced pressure. The residue was diluted with methanol (100 mL) and saturated K2C03 solution (50 ml_). The resulting solution was stirred at room temperature for 4h. The solvent was evaporated under reduced pressure. The residue was diluted with water and extracted with ethyl acetate. The organic layer was separated, dried over sodium sulphate and concentrated under reduced pressure to afford (4-nitropyridin-2-yl)methanol (i58) (4.5 g, Yield 97%). 1H NMR (400 MHz, DMSO-d6) delta 4.70 (s, 2H), 5.82 (s, 1 H), 7.98 (d, J = 5.2 Hz, 1 H), 8.08 (s, 1 H), 8.88 (d, J = 5.2 Hz, 1 H).

Reference： [1]Patent: WO2016/124508,2016,A1 .Location in patent: Page/Page column 70; 71
[2]Chemical Communications,2016,vol. 52,p. 11535 - 11538
[3]Inorganic Chemistry,2013,vol. 52,p. 6481 - 6501
[4]Chemical Communications,2013,vol. 49,p. 9104 - 9106
[5]Chemical and Pharmaceutical Bulletin,2000,vol. 48,p. 1514 - 1518
[6]Chemical and Pharmaceutical Bulletin,1990,vol. 38,p. 2446 - 2458
[7]Inorganic Chemistry,2015,vol. 54,p. 10141 - 10152
[8]Journal of Biomolecular NMR,2018,vol. 70,p. 77 - 92

8
[ 98197-88-7 ]
[ 131747-75-6 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1990,vol. 38,p. 2446 - 2458

9
[ 98197-88-7 ]
[ 108337-77-5 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1990,vol. 38,p. 2446 - 2458

Yield	Reaction Conditions	Operation in experiment
		The residue obtained by the concentration was purified by silica gel column chromatography, thereby to yield 4.70g of the target compound. 1H-NMR (CDCl3, 300MHz): delta 3.36(1H, t, OH), 4.94(2H, d, CH2Py), 7.95(1H, ddt, Py), 8.09(1H, dt, Py), 8.86(1H, d, Py)
		Production Example 4-3: 2-Bromomethyl-4-nitropyridine To a suspension of 2-hydroxymethyl-4-nitropyridine (1.00g, 6.49mmol) obtained in Production Example 4-2 in dried ether (40mL), was added phosphorus tribromide (0.88g, 3.24mmol) at 0C dropwise. After the dropwise addition, the mixture was reacted at 0C for 2 hours, followed by reaction at 20C for 64 hours. The reaction mixture was poured into 250mL of ice-cold water, and the pH of the aqueous layer was adjusted to 8 by adding sodium hydrogencarbonate. After the ether layer and the aqueous layer were separated, the aqueous layer was extracted with 100mL of ethyl acetate twice.

11
C₈H₅F₃N₂O₄ [ No CAS ]
[ 98197-88-7 ]

Reference： [1]Tetrahedron Letters,2008,vol. 49,p. 7274 - 7275

12
[ 98197-88-7 ]
[ 442910-43-2 ]

Yield	Reaction Conditions	Operation in experiment
	With phosphorus tribromide; In dichloromethane; at 0℃; for 3h;Reflux;	To a stirred solution of (4-nitro-pyridin-2-yl)-methanol (1000 mg; 6.42 mmol) in dichloromethane (30 mL) was gradually added phosphorus tribromide (0.79 mL; 8.35 mmol) at 0 C. After addition, the mixture was heated to reflux for 3 hours. The reaction mixture was then cooled to 0 C and cautiously deactivated with water. A saturated aqueous solution of potassium carbonate was cautiously added to the mixture until basic pH. The organic layer was separated and washed with brine, dried over Na2S04 and then concentrated to dryness to afford crude 2-(bromomethyl)-4-nitro-pyridine (1400 mg) as a brown oil, directly used in the next step without further purification. MS m/z (+ESI): 216.9, 219.0 [M+H]+.

Reference： [1]Tetrahedron Asymmetry,2009,vol. 20,p. 1672 - 1682
[2]Organic and Biomolecular Chemistry,2015,vol. 13,p. 4101 - 4114
[3]Patent: WO2018/2220,2018,A1 .Location in patent: Page/Page column 144

13
[ 98197-88-7 ]
[ 124-41-4 ]
[ 16665-38-6 ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 6481 - 6501
[2]Inorganic Chemistry,2015,vol. 54,p. 10141 - 10152

14
[ 98197-88-7 ]
[ 141-52-6 ]
[ 19677-69-1 ]

Yield	Reaction Conditions	Operation in experiment
73%	In ethanol; for 48h;Reflux;	A solution of <strong>[98197-88-7](4-nitropyridin-2-yl)methanol</strong> (100 mg, 0.65 mmol) in ethanol (4 mL) was treated with a solution of sodium ethoxide in ethanol (21% by weight, 0.31 mL, 0.83 mmol) and the reaction mixture was heated under reflux for 48 h. Water (10 mL) was added, the mixturewas neutralized with concentrated aq. hydrochloric acid and ethanol was removed by evaporation in vacuo. More water (20 mL) was added and the mixture was extracted with DCM (4 x 30 mL). Extracts were dried (MgSO4) and concentrated to give (4-ethoxypyridin-2- yl)methanol W (73 mg, 73%) as a red oil, used without purification.LCMS (method A): 2.07 (154.1, MH).

Reference： [1]Patent: WO2019/77345,2019,A1 .Location in patent: Page/Page column 78
[2]Inorganic Chemistry,2013,vol. 52,p. 6481 - 6501

15
[ 98197-88-7 ]
[ 16665-43-3 ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 6481 - 6501
[2]Patent: WO2020/27905,2020,A2

16
[ 98197-88-7 ]
C₂₀H₁₉N₅O₉ [ No CAS ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 6481 - 6501

17
[ 98197-88-7 ]
C₂₀H₁₉Br₂N₃O₅ [ No CAS ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 6481 - 6501

18
[ 98197-88-7 ]
C₂₂H₂₅N₃O₇ [ No CAS ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 6481 - 6501

19
[ 98197-88-7 ]
C₂₄H₂₉N₃O₇ [ No CAS ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 6481 - 6501

20
[ 98197-88-7 ]
[ 131747-63-2 ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 6481 - 6501

21
[ 98197-88-7 ]
[ 1456795-24-6 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 9104 - 9106

22
[ 98197-88-7 ]
1-(4-nitropyridyl-2-methyl)-4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane tris(trifluoroacetate) [ No CAS ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 9104 - 9106

23
[ 98197-88-7 ]
[ 1456795-26-8 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 9104 - 9106

24
[ 98197-88-7 ]
[ 1456795-27-9 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 9104 - 9106

25
[ 98197-88-7 ]
1-tert-butoxycarbonyl-4,10-bis(tbutoxycarbonylmethyl)-7-(4-nitropyridin-2-yl)methyl-1,4,7,10-tetraazacyclodedecane tris(trifluoroacetate) [ No CAS ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 9104 - 9106

26
[ 98197-88-7 ]
[ 52-90-4 ]
[ 1456795-22-4 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 9104 - 9106

27
[ 98197-88-7 ]
[ 124-63-0 ]
[ 1456795-23-5 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 9104 - 9106

28
[ 98197-88-7 ]
N-((4-nitro-1-oxy-pyridin-2-yl)methyl)oxalamic acid [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2015,vol. 13,p. 4101 - 4114

29
[ 98197-88-7 ]
[ 771581-04-5 ]

Reference： [1]Organic and Biomolecular Chemistry,2015,vol. 13,p. 4101 - 4114

30
[ 98197-88-7 ]
2-((4-nitro-pyridin-2-yl)methyl)isoindoline-1,3-dione [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2015,vol. 13,p. 4101 - 4114
[2]Patent: WO2018/2220,2018,A1

31
[ 98197-88-7 ]
tert-butyl N-((4-nitro-pyridin-2-yl)methyl)oxamate [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2015,vol. 13,p. 4101 - 4114

32
[ 98197-88-7 ]
tert-butyl N-((4-nitro-1-oxy-pyridin-2-yl)methyl)oxamate [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2015,vol. 13,p. 4101 - 4114

33
[ 109-06-8 ]
[ 98197-88-7 ]

Reference： [1]Inorganic Chemistry,2015,vol. 54,p. 10141 - 10152
[2]Chemical Communications,2016,vol. 52,p. 11535 - 11538
[3]Journal of Biomolecular NMR,2018,vol. 70,p. 77 - 92

34
[ 98197-88-7 ]
[ 16744-81-3 ]

Reference： [1]Inorganic Chemistry,2015,vol. 54,p. 10141 - 10152

35
[ 98197-88-7 ]
C₂₆H₂₆FeN₆O₂⁽²⁺⁾*2CF₃O₃S^(1-) [ No CAS ]

Reference： [1]Inorganic Chemistry,2015,vol. 54,p. 10141 - 10152
[2]Inorganic Chemistry,2015,vol. 54,p. 10141 - 10152

36
[ 98197-88-7 ]
C₂₄H₂₀FeN₈O₄⁽²⁺⁾*2CF₃O₃S^(1-) [ No CAS ]

Reference： [1]Inorganic Chemistry,2015,vol. 54,p. 10141 - 10152
[2]Inorganic Chemistry,2015,vol. 54,p. 10141 - 10152

37
[ 98197-88-7 ]
C₁₃H₁₃N₃O [ No CAS ]

Reference： [1]Inorganic Chemistry,2015,vol. 54,p. 10141 - 10152

38
[ 98197-88-7 ]
C₁₂H₁₀N₄O₂ [ No CAS ]

Reference： [1]Inorganic Chemistry,2015,vol. 54,p. 10141 - 10152

39
[ 98197-88-7 ]
[ 74-88-4 ]
2-(methoxymethyl)-4-nitropyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
31%		2-(methoxymethyl)-4-nitropyridine (i59): To a solution of <strong>[98197-88-7](4-nitropyridin-2-yl)methanol</strong> (i58) (2.3 g, 14.93 mmol) in THF (40 mL), NaH (0.89 g, 22.40 mmol) was added at 0C and stirred for 5 min. Mel (3.18 g, 22.4 mmol) was added and the reaction mixture allowed to warm to room temperature and stirred for 4h. The progress of the reaction was monitored by TLC. After completion, the mixture was quenched with water and extracted with ethyl acetate. The organic layer was separated, dried over sodium sulphate and concentrated under reduced pressure. The crude product was purified by silica gel (60:120 mesh) column chromatography using 10% ethyl acetate in n-hexane as eluent to afford 2-(methoxymethyl)-4-nitropyridine (i59) (0.775 g, Yield 31 %). 1H NMR (400 MHz, DMSO-d6) delta 3.44 (s, 3H), 4.66 (s, 2H), 8.08 - 8.00 (m, 2H), 8.91 (d, J = 5.2 Hz, 1 H). MS (ESI) m/e (M+1 )+: 169.00

Reference： [1]Patent: WO2016/124508,2016,A1 .Location in patent: Page/Page column 71

40
[ 98197-88-7 ]
2-(methoxymethyl)pyridin-4-amine [ No CAS ]

Reference： [1]Patent: WO2016/124508,2016,A1

41
[ 98197-88-7 ]
5-iodo-2-(methoxymethyl)pyridin-4-amine [ No CAS ]

Reference： [1]Patent: WO2016/124508,2016,A1

42
[ 98197-88-7 ]
[ 873-55-2 ]
(4-(phenylsulfonyl)pyridin-2-yl)methanol [ No CAS ]

Reference： [1]Chemical Communications,2016,vol. 52,p. 11535 - 11538
[2]Journal of Biomolecular NMR,2018,vol. 70,p. 77 - 92

43
[ 98197-88-7 ]
2-(bromomethyl)-4-(phenylsulfonyl)pyridine [ No CAS ]

Reference： [1]Chemical Communications,2016,vol. 52,p. 11535 - 11538

44
[ 98197-88-7 ]
1-((6-methyl-4-(phenylsulfonyl)pyridin-2-yl)methyl)-1,4,7,10-tetraazacyclododecane [ No CAS ]

Reference： [1]Chemical Communications,2016,vol. 52,p. 11535 - 11538

45
[ 98197-88-7 ]
(2S,2'S,2''S)-triethyl 2,2',2''-(10-((6-methyl-4-(phenylsulfonyl)pyridin-2-yl)m-ethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)tripropanoate [ No CAS ]

Reference： [1]Chemical Communications,2016,vol. 52,p. 11535 - 11538

46
[ 98197-88-7 ]
(2S,2'S,2''S)-2,2',2''-(10-((6-methyl-4-(phenylsulfonyl)pyridin-2-yl)methyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)tripropanoic acid [ No CAS ]

Reference： [1]Chemical Communications,2016,vol. 52,p. 11535 - 11538

47
[ 98197-88-7 ]
[ 18162-48-6 ]
tert-butyl-dimethyl-[(4-nitro-2-pyridyl)methoxy]silane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
5790 mg	With 1H-imidazole; In N,N-dimethyl-formamide; at 0 - 20℃; for 18h;	To a stirred solution of <strong>[98197-88-7](4-nitro-2-pyridyl)methanol</strong> (3530 mg; 22.3 mmol)[CAS 98197-88-7] in N,N- dimethylformamide (60 mL) were added imidazole (3070 mg; 44.7 mmol) and teri-butyl-chloro- dimethyl-silane (4080 mg; 26.8 mmol) at 0 C. The reaction mixture was allowed to warm up naturally to room temperature and stirred for 18 hours. The reaction mixture was quenched with distilled water (30 mL) and the product was extracted with ethyl acetate (3 x 100 mL). The combined organic layers were washed with brine, dried over anhydrous Na2S04, filtered and concentrated to dryness. The residue was purified by column chromatography (silica gel; petroleum ether: ethyl acetate; 25: 1 ; v/v) to afford tert- butyl-dimethyl-[(4-nitro-2-pyridyl)methoxy]silane (5790 mg) as a light yellow oil. MS m/z (+ESI): 269.0 [M+H]+. 'H-NMR (400 MHz, DMSO-O delta ppm: 8.89 (d, J= 5.2 Hz, 1H), 8.05 (d, J= 2.4 Hz, 1H), 8.01 (dd, Jl = 5.2 Hz, J2 = 2.4 Hz, 1H), 4.90 (s, 2H), 0.94 (s, 9H), 0.13 (s, 6H).

Reference： [1]Patent: WO2018/2220,2018,A1 .Location in patent: Page/Page column 142

48
[ 98197-88-7 ]
[ 18162-48-6 ]
2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-4-amine [ No CAS ]

Reference： [1]Patent: WO2018/2220,2018,A1

49
[ 98197-88-7 ]
C₁₂H₁₀ClNO₂S [ No CAS ]

Reference： [1]Journal of Biomolecular NMR,2018,vol. 70,p. 77 - 92

50
[ 98197-88-7 ]
2,2′-((((4-(phenylsulfonyl)pyridin-2-yl)methyl)azanediyl)bis(ethane-2,1-diyl))bis(isoindoline-1,3-dione) [ No CAS ]

Reference： [1]Journal of Biomolecular NMR,2018,vol. 70,p. 77 - 92

51
[ 98197-88-7 ]
N₁-(2-aminoethyl)-N₁-((4-(phenylsulfonyl)pyridin-2-yl)methyl) ethane-1,2-diamine [ No CAS ]

Reference： [1]Journal of Biomolecular NMR,2018,vol. 70,p. 77 - 92

52
[ 98197-88-7 ]
tetraethyl 2,2',2'',2'''-(((((4-(phenylsulfonyl)pyridin-2-yl)methyl)azanediyl)bis(ethane-2,1-diyl))bis(azanetriyl))tetraacetate [ No CAS ]

Reference： [1]Journal of Biomolecular NMR,2018,vol. 70,p. 77 - 92

53
[ 98197-88-7 ]
2,2',2'',2'''-(((((4-(phenylsulfonyl)pyridin-2-yl)methyl)azanediyl)bis(ethane-2,1-diyl))bis(azanetriyl))tetraacetic acid [ No CAS ]

Reference： [1]Journal of Biomolecular NMR,2018,vol. 70,p. 77 - 92

54
[ 98197-88-7 ]
[ 574759-36-7 ]
N-(4-tert-butylbenzyl)-N-(4-nitropyridin-2-ylmethyl)pyridine-3-sulfonamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 6869 - 6891

55
[ 98197-88-7 ]
N-(4-aminopyridin-2-ylmethyl)-N-(4-tert-butylbenzyl)pyridine-3-sulfonamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 6869 - 6891

56
[ 98197-88-7 ]
tert-butyl (2-((4-tert-butylbenzyl)(pyridin-3-ylsulfonyl)aminomethyl)pyridin-4-yl)carbamate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 6869 - 6891

57
[ 98197-88-7 ]
tert-butyl ((tert-butoxycarbonyl)(2-((4-tert-butylbenzyl)(pyridin-3-sulfonyl)aminomethyl)pyridin-4-yl)amino)acetate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 6869 - 6891

58
[ 98197-88-7 ]
(2-((4-tert-butylbenzyl)(pyridin-3-ylsulfonyl)aminomethyl)pyridin-4-ylamino)acetic acid hydrochloride [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 6869 - 6891

59
[ 98197-88-7 ]
[ 39115-81-6 ]
[ 107-19-7 ]
(4-(prop-2-yn-1-yloxy)pyridin-2-yl)methanol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
73%	for 2h;Reflux;	A 50-mL round-bottom flask was charged with (4-nitropyridin~2-yl)mefhano (1.07 g, 6 94 mmol), propargyl alcohol (5 mL), and the sodium alkoxide of propargyi alcohol (2.22 g, 28.44 mmol, 4.1 equiv, prepared from propargyiic alcohol and NaH). A reflux condenser was attached, and after the reaction mixture was heated to reflux for 2 h, the reaction mixture was cooled to 23 C, quenched with saturated aqueous NF C (5 mL), and extracted with CH2G2 (3 x 10 mL) using a separatory funnel. The combine organic layers were dried over anhydrous Na2504, filtered, and concentrated in vacuo to deliver (4- (prop-2~yn-1~yoxy)pyridin-2~yl)methanol (830 mg, 73% yield). The crude materia was used directly in the next step without further purification.

Reference： [1]Patent: WO2020/27905,2020,A2 .Location in patent: Paragraph 00105

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[ 98197-88-7 ]
[ 16665-44-4 ]