[ CAS No. 17295-12-4 ] {[proInfo.proName]}

Name: 17295-12-4|Ethyl 6-hydroxy-2-naphthoate|95%
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SKU: A442806
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Quality Control of [ 17295-12-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 17295-12-4 ]

Product Details of [ 17295-12-4 ]

CAS No. :	17295-12-4	MDL No. :	MFCD07368972
Formula :	C₁₃H₁₂O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WLJMCRWYIXLKQL-UHFFFAOYSA-N
M.W :	216.23	Pubchem ID :	2769636
Synonyms :

Calculated chemistry of [ 17295-12-4 ]

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.15
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	62.06
TPSA :	46.53 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) :	-5.87 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.27
Log Po/w (XLOGP3) :	2.47
Log Po/w (WLOGP) :	2.72
Log Po/w (MLOGP) :	2.58
Log Po/w (SILICOS-IT) :	2.7
Consensus Log Po/w :	2.55

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.0
Solubility :	0.216 mg/ml ; 0.000997 mol/l
Class :	Soluble
Log S (Ali) :	-3.09
Solubility :	0.175 mg/ml ; 0.00081 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.99
Solubility :	0.0223 mg/ml ; 0.000103 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.37

Safety of [ 17295-12-4 ]

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 [ 17295-12-4 ]

* 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 [ 17295-12-4 ]
Downstream synthetic route of [ 17295-12-4 ]

[ 17295-12-4 ] Synthesis Path-Upstream 1~5

1
[ 64-17-5 ]
[ 16712-64-4 ]
[ 17295-12-4 ]

Yield	Reaction Conditions	Operation in experiment
99%	at 0 - 20℃; for 72 h;	Compound 161a:; 161aTo an ethanol solution (50 mL ) of 6-hydroxy-naphthalene-2-carboxylic acid (5.29 g, 28.0 mmol) was added thionyl chloride (6 mL ) at 0°C. The mixture was stirred at room temperature for 72h. Excess reagents were evaporated. The residue was dissolved in ethyl acetate (100 mL ). The ethyl acetate solution was washed with water (80 ml_), cold 1 M sodium bicarbonate (80 ml.) and brine (80 mL ). It was dried over Na₂SO₄ and concentrated to give the crude title compound in 99percent yield. ¹H NMR (CDCI₃): δ 8.53 (1 H, br s), 8.01 (1 H, dd, J=8.5, 1.7Hz), 7.86 (1 H, d, J=8.5Hz), 7.20-7.13 (2H, m), 4.43 (2H, q, J=7.3Hz), 1.43 (3H, t, J=7.1 Hz). LCMS (APCl): 217.1 (M+H⁺).
85%	for 2 h; Reflux	To the solution of 6-hydroxy-2-naphthaoic acid (10.0 g, 0.053 mol) dissolved in 100 mL of EtOH was added 2.0 mL of H₂SO₄, and this solution was refluxed for 2 h. The solution was cooled and neutralized with 0.5 M of aqueous NaOH. The solids were collected. The product isolated as white solids were obtained after recrystallization from ethanol. Yield 85percent. ¹H NMR (300 MHz, CDCl₃): δ 3.95 (s, 3H, -OCH₃), 5.74 (s, 1H, Ar-OH), 7.15 (d, 2H, Ar-H, J=7.6 Hz), 7.67 (d, 1H, Ar-H, J=8.6 Hz), 7.83 (d, 1H, Ar-H, J=9.7 Hz), 7.98 (d, 1H, Ar-H, J=8.7 Hz), 8.51 (s, 1H, Ar-H).¹³C NMR (75 MHz, CDCl₃): δ 50.00, 109.31, 118.52, 125.31, 125.91, 126.53, 127.94, 130.72, 131.24, 136.43, 155.65, 167.00.

Reference： [1] Patent: WO2006/40646, 2006, A1, . Location in patent: Page/Page column 97
[2] Journal of Physical Chemistry A, 2016, vol. 120, # 33, p. 6563 - 6574
[3] Journal of Medicinal Chemistry, 2004, vol. 47, # 14, p. 3518 - 3536
[4] Molecular Crystals and Liquid Crystals, 2008, vol. 494, p. 282 - 292
[5] Tetrahedron, 2013, vol. 69, # 43, p. 9045 - 9055
[6] Journal of the American Chemical Society, 1950, vol. 72, p. 2112,2114
[7] Bioorganic and Medicinal Chemistry, 2005, vol. 13, # 13, p. 4279 - 4290
[8] Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2019, vol. 210, p. 266 - 274

2
[ 16712-64-4 ]
[ 17295-12-4 ]

Reference： [1] Patent: US2003/144329, 2003, A1,
[2] Journal of Medicinal Chemistry, 2009, vol. 52, # 8, p. 2465 - 2481

3
[ 78119-76-3 ]
[ 17295-12-4 ]
[ 84701-39-3 ]

Reference： [1] Journal of Organic Chemistry USSR (English Translation), 1981, vol. 17, # 2, p. 303 - 306[2] Zhurnal Organicheskoi Khimii, 1981, vol. 17, # 2, p. 358 - 361

4
[ 78119-72-9 ]
[ 140-88-5 ]
[ 17295-12-4 ]
[ 84701-39-3 ]

Reference： [1] Journal of Organic Chemistry USSR (English Translation), 1981, vol. 17, # 2, p. 303 - 306[2] Zhurnal Organicheskoi Khimii, 1981, vol. 17, # 2, p. 358 - 361

5
[ 78119-71-8 ]
[ 140-88-5 ]
[ 17295-12-4 ]
[ 84701-39-3 ]

Reference： [1] Journal of Organic Chemistry USSR (English Translation), 1981, vol. 17, # 2, p. 303 - 306[2] Zhurnal Organicheskoi Khimii, 1981, vol. 17, # 2, p. 358 - 361

[ 17295-12-4 ] Synthesis Path-Downstream 1~87

1
[ 64-17-5 ]
[ 16712-64-4 ]
[ 17295-12-4 ]

Yield	Reaction Conditions	Operation in experiment
99%	With thionyl chloride; at 0 - 20℃; for 72h;	Compound 161a:; 161aTo an ethanol solution (50 mL ) of 6-hydroxy-naphthalene-2-carboxylic acid (5.29 g, 28.0 mmol) was added thionyl chloride (6 mL ) at 0C. The mixture was stirred at room temperature for 72h. Excess reagents were evaporated. The residue was dissolved in ethyl acetate (100 mL ). The ethyl acetate solution was washed with water (80 ml_), cold 1 M sodium bicarbonate (80 ml.) and brine (80 mL ). It was dried over Na2SO4 and concentrated to give the crude title compound in 99% yield. 1H NMR (CDCI3): delta 8.53 (1 H, br s), 8.01 (1 H, dd, J=8.5, 1.7Hz), 7.86 (1 H, d, J=8.5Hz), 7.20-7.13 (2H, m), 4.43 (2H, q, J=7.3Hz), 1.43 (3H, t, J=7.1 Hz). LCMS (APCl): 217.1 (M+H+).
85%	With sulfuric acid; for 2h;Reflux;	To the solution of 6-hydroxy-2-naphthaoic acid (10.0 g, 0.053 mol) dissolved in 100 mL of EtOH was added 2.0 mL of H2SO4, and this solution was refluxed for 2 h. The solution was cooled and neutralized with 0.5 M of aqueous NaOH. The solids were collected. The product isolated as white solids were obtained after recrystallization from ethanol. Yield 85%. 1H NMR (300 MHz, CDCl3): delta 3.95 (s, 3H, -OCH3), 5.74 (s, 1H, Ar-OH), 7.15 (d, 2H, Ar-H, J=7.6 Hz), 7.67 (d, 1H, Ar-H, J=8.6 Hz), 7.83 (d, 1H, Ar-H, J=9.7 Hz), 7.98 (d, 1H, Ar-H, J=8.7 Hz), 8.51 (s, 1H, Ar-H). 13C NMR (75 MHz, CDCl3): delta 50.00, 109.31, 118.52, 125.31, 125.91, 126.53, 127.94, 130.72, 131.24, 136.43, 155.65, 167.00.

Reference： [1]Patent: WO2006/40646,2006,A1 .Location in patent: Page/Page column 97
[2]Journal of Physical Chemistry A,2016,vol. 120,p. 6563 - 6574
[3]Journal of Medicinal Chemistry,2004,vol. 47,p. 3518 - 3536
[4]Molecular Crystals and Liquid Crystals,2008,vol. 494,p. 282 - 292
[5]Tetrahedron,2013,vol. 69,p. 9045 - 9055
[6]Journal of the American Chemical Society,1950,vol. 72,p. 2112,2114
[7]Bioorganic and Medicinal Chemistry,2005,vol. 13,p. 4279 - 4290
[8]Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,2019,vol. 210,p. 266 - 274

2
[ 17295-12-4 ]
[ 85072-34-0 ]

Reference： [1]Journal of the American Chemical Society,1951,vol. 73,p. 1393,1397

3
[ 17295-12-4 ]
[ 36126-74-6 ]

Reference： [1]Journal of the American Chemical Society,1950,vol. 72,p. 2112,2114

4
[ 17295-12-4 ]
6-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1950,vol. 72,p. 2112,2114

5
[ 17295-12-4 ]
perixanthenoxanthene-2,8-dicarboxylic acid diethyl ester [ No CAS ]

Reference： [1]Patent: DE545212,1928,
Fortschr. Teerfarbenfabr. Verw. Industriezweige,vol. 18,p. 1510

6
[ 78119-76-3 ]
[ 17295-12-4 ]
[ 84701-39-3 ]

Reference： [1]Journal of Organic Chemistry USSR (English Translation),1981,vol. 17,p. 303 - 306
Zhurnal Organicheskoi Khimii,1981,vol. 17,p. 358 - 361

7
[ 78119-72-9 ]
[ 140-88-5 ]
[ 17295-12-4 ]
[ 84701-39-3 ]

Reference： [1]Journal of Organic Chemistry USSR (English Translation),1981,vol. 17,p. 303 - 306
Zhurnal Organicheskoi Khimii,1981,vol. 17,p. 358 - 361

8
[ 78119-71-8 ]
[ 140-88-5 ]
[ 17295-12-4 ]
[ 84701-39-3 ]

Reference： [1]Journal of Organic Chemistry USSR (English Translation),1981,vol. 17,p. 303 - 306
Zhurnal Organicheskoi Khimii,1981,vol. 17,p. 358 - 361

10
[ 17295-12-4 ]
copper oxide-chromium oxide [ No CAS ]
[ 85072-34-0 ]

Reference： [1]Journal of the American Chemical Society,1951,vol. 73,p. 1393,1397

11
[ 17295-12-4 ]
[ 582313-63-1 ]
[ 582313-70-0 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

12
[ 17295-12-4 ]
2-(2,2,5-trimethyltetrahydro[1,3]dioxolo[4,5-c]pyrrol-4-yl)ethanol [ No CAS ]
[ 582314-14-5 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

13
[ 17295-12-4 ]
[ 582313-79-9 ]
[ 582313-92-6 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

14
[ 17295-12-4 ]
[ 736992-52-2 ]

Reference： [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 3518 - 3536

15
[ 262447-61-0 ]
[ 17295-12-4 ]
[ 859831-58-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2005,vol. 13,p. 4279 - 4290

16
[ 17295-12-4 ]
6-[2-(9<i>H</i>-carbazol-4-yloxy)-ethoxy]-naphthalene-2-carboxylic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2005,vol. 13,p. 4279 - 4290

17
[ 17295-12-4 ]
[ 736992-53-3 ]

Reference： [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 3518 - 3536

18
[ 17295-12-4 ]
5-Cl-AHPN [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 3518 - 3536

19
[ 17295-12-4 ]
[ 736992-55-5 ]

Reference： [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 3518 - 3536

20
[ 17295-12-4 ]
[ 736992-54-4 ]

Reference： [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 3518 - 3536

21
[ 17295-12-4 ]
[ 582313-71-1 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

22
[ 17295-12-4 ]
[ 582314-15-6 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

23
[ 17295-12-4 ]
{6-[2-((3aS,6aR)-2,2-Dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-propoxy]-naphthalen-2-yl}-methanol [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

24
[ 17295-12-4 ]
{6-[2-((3aS,6aR)-2,2,5-Trimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-ethoxy]-naphthalen-2-yl}-methanol [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

25
[ 17295-12-4 ]
[ 582313-93-7 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

26
[ 17295-12-4 ]
{6-[2-((3aS,6aR)-5-Benzyl-2,2-dimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-ethoxy]-naphthalen-2-yl}-methanol [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

27
[ 17295-12-4 ]
5-{6-[2-(2,2-dimethyltetrahydrofuro[3,4-d][1,3]-dioxol-4-yl)propoxy]naphthalene-2-ylmethyl}thiazolidine-2,4-dione [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

28
[ 17295-12-4 ]
5-{6-[2-(2,2-dimethyltetrahydrofuro[3,4-d][1,3]-dioxol-4-yl)propoxy]naphthalene-2-ylmethylene}thiazolidine-2,4-dione [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

29
[ 17295-12-4 ]
5-{6-[2-(2,2,5-trimethyltetrahydro[1,3]dioxolo[4,5-c]pyrrol-4-yl)ethoxy]naphthalene-2-yl-methyl}thiazolidine-2,4-dione [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

30
[ 17295-12-4 ]
5-{6-[2-(2,2,5-trimethyltetrahydro[1,3]dioxolo[4,5-c]pyrrol-4-yl)ethoxy]naphthalene-2-yl-methylene}thiazolidine-2,4-dione [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

31
[ 17295-12-4 ]
5-{6-[2-(5-benzyl-2,2-dimethyltetrahydro[1,3]dioxolo[4,5-c]pyrrol-4-yl)ethoxy]naphthalene-2-yl-methyl}thiazolidine-2,4-dione [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

32
[ 17295-12-4 ]
5-{6-[2-(5-benzyl-2,2-dimethyltetrahydro[1,3]dioxolo[4,5-c]pyrrol-4-yl)ethoxy]naphthalene-2-yl-methylene}thiazolidine-2,4-dione [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2003,vol. 51,p. 276 - 285

33
[ 16712-64-4 ]
[ 17295-12-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid; In ethanol;	a. 6-Hydroxy-naphthalene-2-carboxylic acid ethyl ester. A solution of 6-hydroxy-2-naphthoic acid (75.9 g, 0.40 mol) in ethanol (1.0 L) and sulfuric acid (5.0 mL) was heated to reflux under an atmosphere of nitrogen. After 16 hours, the volume was removed to approximately half via simple distillation and the resulting solution was diluted with water. The resulting cloudy mixture was extracted with EtOAc (4*) and the combined organics were successively washed with NaHCO3 (0.25 M, twice), water, brine and dried (MgSO4). The mixture was filtered and evaporated to give 6-hydroxy-naphthalene-2-carboxylic acid ethyl ester, 85.4 g (98%). 1H NMR (300 MHz; CDCl3) 1.44 (t, J=7.5 Hz, 3 H), 4.45 (q, J=7.5 Hz, 2 H), 6.48 (brs, 1 H), 7.10-7.25 (m, 2 H), 7.66 (d, J=8.4 Hz, 1 H), 7.84 (dd, J1=9.0 Hz, J2=1.0 Hz, 1 H), 8.00 (dd, J1=9.0 Hz, J2=1.5 Hz, 1 H), 8.53 (d, J=1.0 Hz, 1 H).

Reference： [1]Patent: US2003/144329,2003,A1
[2]Journal of Medicinal Chemistry,2009,vol. 52,p. 2465 - 2481

34
[ 17295-12-4 ]
6-trifluoromethanesulfonyloxy-naphthalene-2-carboxylic acid ethyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; hydrogenchloride; trifluoromethylsulfonic anhydride; In dichloromethane;	b. 6-Trifluoromethanesulfonyloxy-naphthalene-2-carboxylic acid ethyl ester. To a mixture of <strong>[17295-12-4]6-hydroxy-naphthalene-2-carboxylic acid ethyl ester</strong> (85.00 g, 0.39 mol) in CH2Cl2 (600 mL) and pyridine (93.3 g, 1.18 mol, 95 mL) near 0 C. under an atmosphere of argon was added triflic anhydride (144.2, 0.51 mol, 86 mL) dropwise. The dark solution was allowed to warm to room temperature over night. The mixture was poured onto ice and the resulting layers were separated. The aqueous layer was washed with CH2Cl2 and the combined organics were washed water, 0.5 N HCl (2*), water and brine. The mixture was dried (MgSO4), filtered and evaporated to give 6-trifluoromethanesulfonyloxy-naphthalene-2-carboxylic acid ethyl ester as a yellowish solid, 136.97 g (100%). 1H NMR (300 MHz; CDCl3) 1.46 (t, J=7.0 Hz, 3 H), 4.46 (q, J=7.0 Hz, 2 H), 7.43 (dd, J=9.0 Hz, J2=2.5 Hz, 1 H), 7.79 (d, J=2.5 Hz, 1 H), 7.91 (d, J=9.0 Hz, 1 H), 8.04 (d, J=9.0 Hz, 1 H), 8.17 (dd, J1=9.0 Hz, J2=2.0 Hz, 1 H), 8.64 (brs, 1 H).
	With pyridine; hydrogenchloride; trifluoromethanesulfonic acid anhydride; In toluene;	Production Example 9 Production of 6-(1'-n-decynyl)naphthalene-2-carboxylic acid {circle around (1)}: Added dropwise to a mixture comprising 5.4 g of ethyl 6-hydroxynaphthalene-2-carboxylate and 25 g of pyridine was 7.5 g of trifluoromethanesulfonic anhydride while cooling with ice. The reaction mixture was stirred at room temperature for 12 hours, and then excess pyridine was distilled off under reduced pressure. Toluene was added to the residue, and 1/2 N hydrochloric acid were added to the toluene solution to neutralize, followed by washing it with water. The toluene phase was separated, and then toluene was distilled off under reduced pressure. The resultant residue was purified by means of silica gel column chromatography, whereby 6.3 g of ethyl 6-trifluoromethanesulfonyloxynaphthalene-2-carboxylate was obtained in the form of a colorless crystal.

Reference： [1]Patent: US2003/144329,2003,A1
[2]Patent: US6217793,2001,B1

35
[ 17295-12-4 ]
ethyl 6-(2-trimethylsilyl-ethoxymethoxy)-naphthalene-2-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		(m) From ethyl 6-hydroxy-naphthalene-2-carboxylate [J. Chem. Soc. 123, 1654 (1923)] by introducing the protecting group there was obtained ethyl 6-(2-trimethylsilyl-ethoxymethoxy)-naphthalene-2-carboxylate as a light yellow oil, MS: 346 (M)+.

Reference： [1]Patent: US6051712,2000,A

36
[ 108-01-0 ]
[ 17295-12-4 ]
[ 884047-99-8 ]

Yield	Reaction Conditions	Operation in experiment
38%	With di-isopropyl azodicarboxylate; triphenylphosphine; In toluene; at 20℃;	Compound 162b:; 162bTo a toluene solution (70 mL ) of 161a (2.01 g, 9.30 mmol) were added N,N-dimethylaminoethanol (4.14 g, 46.7 mmol), triphenylphosphine (9.75 g, 37.3 mmol) and diisopropylazodicarboxlate (7.54 g, 37.3 mmol). The mixture was stirred at room temperature overnight. It was then diluted with ether (70 ml_), washed with saturated ammonium chloride (100 ml_) and brine (100 ml_), dried with Na2SO4 and concentrated. After column chromatography (5% methanol in dichloromethane), the title compound was obtained in 38% yield. 1H NMR (CDCI3): delta 8.52 (1H, s), 8.06-8.00 (1H, m), 7.83 (1H, d, J=8.5Hz), 7.75 (1 H, d, J=8.7Hz), 7.25-7.15 (2H, m), 4.48-4.35 (4H, m), 3.17 (2H, m), 2.65 (6H, s), 1.42 (3H, t, J=7.1 Hz). LCMS (APCI): 288.1 (M+H+).

Reference： [1]Patent: WO2006/40646,2006,A1 .Location in patent: Page/Page column 97

37
[ 134472-49-4 ]
ethyl acetate n-hexane [ No CAS ]
[ 17295-12-4 ]
[ 134472-57-4 ]

Yield	Reaction Conditions	Operation in experiment
92%	With sodium iodide; potassium carbonate; In N-methyl-acetamide;	EXAMPLE 34 6-[6-[2,3-bis(Phenylmethoxy)phenyl]hexyloxy]-2-naphthalene carboxylic acid A mixture of 5.74 g (12.7 mmol) of 1-(6-bromohexyl)-2,3-bis-(phenylmethoxy)benzene, 2.50 g (11.6 mmol) of 6-hydroxy-2-naphthalenecarboxylic acid ethyl ester [G. W. Gray and B. Jones, J Chem. Soc., 678 (1954)], 3.2 g (23.2 mmol) of potassium carbonate and 1.75 g (11.6 mmol) sodium iodide in 70 mL of acetone - 20 mL of dimethylformamide was stirred at reflux for 48 hours. The reaction mixture was concentrated at reduced pressure. The crude product was purified by HPLC using 10% ethylacetate-hexane to give 6.26 g (92% yield), mp 66-68, of 6-[6-[2,3-bis(phenylmethoxy)phenyl]hexyloxy]-2-naphthalenecarboxylic acid. Anal. Calcd. for C37 H36 O5: C, 79.26; H, 6.47. Found: C, 78.99; H, 6.18.

Reference： [1]Patent: US4937373,1990,A

38
[ 17295-12-4 ]
[ 16420-13-6 ]
[ 95901-12-5 ]

Yield	Reaction Conditions	Operation in experiment
	In N,N-dimethyl-formamide;	Step 1. Ethyl 6-((dimethylamino)thioxomethoxy)-2-naphthalene carboxylate A mixture of ethyl 6-hydroxy-2-naphthalene carboxylate (3 g) and sodium hydride (0.5 g) in dimethyl formamide (22.6 ml) was stirred at 0 under an N2 atmosphere for 1.5 hours. N,N-dimethylthiocarbamylchloride (2.06 g) was added and the mixture was stirred 3 hours at 80 C. The mixture was cooled, diluted with dichloromethane and washed with excess aqueous ammonium chloride. The organic phase was dried, reduced to dryness in vacuo and the residue was chromatographed on silica gel to provide the title compound, m.p. 128-130.

Reference： [1]Patent: US4609744,1986,A

39
[ 28862-10-4 ]
[ 17295-12-4 ]
6-[5-(2-Acetyl-3-hydroxyphenoxy)pentyloxy]naphthalene-2-carboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; potassium carbonate; In dimethyformamide; ethanol; acetonitrile;	(a) 6-[5-(2-Acetyl-3-hydroxyphenoxy)pentyloxy]naphthalene-2-carboxylic acid A suspension of 2-(5-bromopentyloxy)-6-hydroxy acetophenone (4.18 g), ethyl 6-hydroxynaphthalene-2-carboxylate (3 g) and potassium carbonate (1.92 g) in dry dimethyformamide (50 ml) was stirred for 60 hr, diluted with water and extracted with ethyl acetate. Evaporation and chromatography of the residue over silica with methylene chloride containing acetonitrile (1%) gave the ethyl ester of the sub-title compound as a crystalline solid (1.85 g). The ester (0.6 g) was refluxed in ethanol (100 ml) containing 40% sodium hydroxide solution (1 ml) for one hour. The solvent was removed and the residue was partitioned between water and ethyl acetate. Acidification of the aqueous layer gave the sub-title acid (0.50 g), mp 190-193.

Reference： [1]Patent: US4424231,1984,A

40
[ 17295-12-4 ]
[ 618-40-6 ]
[ 1025460-02-9 ]
[ 100-61-8 ]

Reference： [1]Journal of Organic Chemistry,2018,vol. 83,p. 5082 - 5091
[2]Journal of the American Chemical Society,2008,vol. 130,p. 5840 - 5841

41
C₁₃H₂₁N₃O₂ [ No CAS ]
[ 17295-12-4 ]
N-(3-[N-(3-propyl)-6-hydroxy-2-naphthamide]-methyl-amino}-propyl)-4-hydroxy-benzamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol; at 170℃; for 8h;Inert atmosphere;	To a 1 liter 4-necked round bottomed flask, fitted with a distillation apparatus, was added 3,3'-diamino-N-methyldipropylamine (45.835 g, 0.316 mol), absolute ethanol (325 ml), ethyl-4-hydroxybenzoate (52.439 g, 0.316 mol), and dibutyltin oxide (0.235 g; 8.25 mmol). The reaction mixture was heated to 170 C within 2 h under an inert nitrogen atmosphere, removing the ethanol via distillation. After 8 h at <n="69"/>17O0C, the translucent yellow melt was allowed to cool to room temperature under nitrogen. Once at room temperature, absolute ethanol (300 ml) and ethyl-<strong>[17295-12-4]6-hydroxy-2-naphthoate</strong> (67.833 g; 0.314 mol) was added to the white solid residue in the reaction flask to afford an orange translucent liquid. The reaction mixture was heated to 170 C within 2 h under an inert nitrogen atmosphere, removing the ethanol via distillation. After 8 h at 170 C, the dark orange melt was allowed to cool to room temperature under nitrogen. After successive washes with ethanol, ethyl acetate, and ether, compound 1 (N-(3-[N-(3-propyl)-6-hydroxy- 2-naphthamide]-methyl-amino}-propyl)-4-hydroxy-benzamide) was obtained as a light tan powder (yield: 66%).

Reference： [1]Patent: WO2009/110942,2009,A2 .Location in patent: Page/Page column 67; 68

42
[ 17295-12-4 ]
[ 849421-24-5 ]

Yield	Reaction Conditions	Operation in experiment
96%	With hydrazine hydrate;Reflux;	The intermediate compounds 2 were prepared according to the reported procedure [40].As shown in Scheme 1, compound 2 (1.08 g, 5mmol) was dissolvedin 20 mL hydrazine monohydrate (80%) and the mixture was refluxedfor 4 h. After cooling to room temperature, the precipitate producedwas filtered and recrystallized from ethanol to get compound NAH(970 mg, 96%) as white powder [41]. M.P: 247 C. 1H NMR (Fig. S1)(600 MHz, DMSO d6) delta 9.98 (s, 1H), 9.77 (s, 1H), 8.29 (s, 1H), 7.85 (s,1H), 7.79 (s, 1H), 7.72 (s, 1H), 7.14 (s, 2H), 4.45 (s, 2H)·13C NMR(Fig. S2) (151 MHz, DMSO d6) delta 166.63 (s), 157.22 (s), 136.41 (s),131.04 (s), 127.82 (d, J = 27.1 Hz), 127.16 (s), 126.41 (s), 124.54 (s),119.81 (s), 109.05 (s). HRMS m/z (TOF MS ES+) (Fig. S3): calcd forC11H10N2O2: 203.0821 [M + H]+, found: 203.0805.

Reference： [1]Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,2019,vol. 210,p. 266 - 274
[2]Journal of Medicinal Chemistry,2009,vol. 52,p. 2465 - 2481

43
[ 109-65-9 ]
[ 17295-12-4 ]
[ 1215343-40-0 ]

Reference： [1]Molecular Crystals and Liquid Crystals,2008,vol. 494,p. 282 - 292

44
[ 629-04-9 ]
[ 17295-12-4 ]
[ 1215343-43-3 ]

Reference： [1]Molecular Crystals and Liquid Crystals,2008,vol. 494,p. 282 - 292

45
[ 110-53-2 ]
[ 17295-12-4 ]
[ 1215343-41-1 ]

Reference： [1]Molecular Crystals and Liquid Crystals,2008,vol. 494,p. 282 - 292

46
[ 111-25-1 ]
[ 17295-12-4 ]
[ 1215343-42-2 ]

Reference： [1]Molecular Crystals and Liquid Crystals,2008,vol. 494,p. 282 - 292

47
[ 111-83-1 ]
[ 17295-12-4 ]
[ 1215343-44-4 ]

Reference： [1]Journal of Physical Chemistry A,2016,vol. 120,p. 6563 - 6574
[2]Molecular Crystals and Liquid Crystals,2008,vol. 494,p. 282 - 292
[3]Tetrahedron,2013,vol. 69,p. 9045 - 9055

48
[ 17295-12-4 ]
6-(decyloxy)-2-naphthahydrazide [ No CAS ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 9045 - 9055

49
[ 17295-12-4 ]
C₁₉H₂₆N₂O₂ [ No CAS ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 9045 - 9055

50
[ 17295-12-4 ]
C₂₃H₃₄N₂O₂ [ No CAS ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 9045 - 9055

51
[ 17295-12-4 ]
C₂₅H₃₈N₂O₂ [ No CAS ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 9045 - 9055

52
[ 17295-12-4 ]
C₂₇H₄₂N₂O₂ [ No CAS ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 9045 - 9055

53
[ 112-29-8 ]
[ 17295-12-4 ]
ethyl 6-(decyloxy)-2-naphthoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
85%	With potassium carbonate; potassium iodide; In acetone; for 48h;Inert atmosphere; Reflux;	The solution of <strong>[17295-12-4]ethyl <strong>[17295-12-4]6-hydroxy-2-naphthoate</strong></strong> (10.0 g, 0.06 mol) dissolved in 150 mL of acetone were added K2CO3 (4.5 g, 0.03 mol), KI (5.0 g, 0.03 mol), and 1-bromodecane (16.1 g, 0.06 mol). The solution was refluxed for 48 h under nitrogen atmosphere. The solution was filtered while hot. The filtrate was concentrated to give light brown solids. The products isolated as white solids were obtained after recrystallization from CH2Cl2/MeOH. Yield 85%. 1H NMR (300 MHz, CDCl3): delta 0.84-0.87 (t, 3H, -CH3), 1.27-1.48 (m, 14H, -CH2), 1.42 (t, 3H, -CH3, J=7.2 Hz), 1.78-1.88 (m, 2H, -CH2), 4.05 (t, 2H, -OCH2, J=6.6 Hz), 4.37-4.45 (m, 2H, -OCH2), 7.11-7.24 (m, 2H, Ar-H), 7.71 (d, 1H, Ar-H, J=8.7 Hz), 7.81 (d, 1H, Ar-H, J=9 Hz), 8.01 (d, 1H, Ar-H, J=8.4 Hz), 8.51 (s, 1H, Ar-H). 13C NMR (75 MHz, CDCl3): delta 14.07, 14.38, 22.65, 26.05, 29.13, 29.29, 29.37, 29.54, 31.87, 60.82, 68.09, 106.30, 119.81, 125.35, 125.83, 126.66, 127.75, 130.67, 130.73, 137.13, 158.99, 166.88.

Reference： [1]Tetrahedron,2013,vol. 69,p. 9045 - 9055

54
[ 17295-12-4 ]
[ 143-15-7 ]
C₂₅H₃₆O₃ [ No CAS ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 9045 - 9055

55
[ 112-71-0 ]
[ 17295-12-4 ]
C₂₇H₄₀O₃ [ No CAS ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 9045 - 9055

56
[ 17295-12-4 ]
[ 112-82-3 ]
C₂₉H₄₄O₃ [ No CAS ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 9045 - 9055

57
[ 17295-12-4 ]
[ 501-65-5 ]
ethyl 3'-oxo-2,3,4,5-tetraphenyl-3'H-spiro[cyclopenta[2,4]diene-1,4'-naphthalene]-7'-carboxylate [ No CAS ]

Reference： [1]Organic Letters,2014,vol. 16,p. 6132 - 6135

58
diphenyl(trifluoromethanesulfonato)-λ³-iodane [ No CAS ]
[ 17295-12-4 ]
ethyl 6-hydroxy-5-phenyl-2-naphthoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
63%	With copper(II) bis(trifluoromethanesulfonate); In 1,2-dichloro-ethane; at 80℃; for 6h;Schlenk technique; Sealed tube;	General procedure: 2a (258.1 mg, 0.6 mmol, 1.2 equiv), Cu(OTf)2 (18.1 mg, 0.05 mmol, 10 mol %), and 1b-j (0.5 mmol, 1 equiv) were added to Schlenk tube, sealed with a rubber under air. Then 2 mL DCE was added using a syringe. The reaction mixture was stirred at 80C for 6 h. After cooling to room temperature, the solvent was removed in vacuo and the residue was purified by silica gel using a proper eluent to afford the desired products.

Reference： [1]Tetrahedron Letters,2016,vol. 57,p. 607 - 610

59
[ 17295-12-4 ]
(6-(octyloxy)naphthalen-2-yl)methanol [ No CAS ]

Reference： [1]Journal of Physical Chemistry A,2016,vol. 120,p. 6563 - 6574

60
[ 17295-12-4 ]
2-(chloromethyl)-6-(octyloxy)naphthalene [ No CAS ]

Reference： [1]Journal of Physical Chemistry A,2016,vol. 120,p. 6563 - 6574

61
[ 17295-12-4 ]
1,2-dimethyl-3-((6-(octyloxy)naphthalen-2-yl)methyl)-1H imidazol-3-ium chloride [ No CAS ]

Reference： [1]Journal of Physical Chemistry A,2016,vol. 120,p. 6563 - 6574

62
[ 17295-12-4 ]
[ 107-06-2 ]
6,6'-(ethylenedioxy)-di-2-naphthoic acid diethyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
86.5%	With 1-methyl-pyrrolidin-2-one; sodium carbonate; at 170℃; under 760.051 Torr; for 3h;	<strong>[17295-12-4]6-hydroxy-2-naphthoic acid ethyl ester</strong> 27.8g (0.13mol), sodium carbonate 21.1g (0.20mol), N- methyl-2-pyrrolidone 180g the (1.8mol) To prepare a solution.1,2-Dichloroethane was added at a constant rate of 12.4 g / h over 3 hours from the dropping funnel (total 37.2 g (0.38 mol)), while continuously adding the 1,2-dichloroethane into the above NMP solution at 170 C. under atmospheric pressure For 3 hours to obtain a reaction product.While the continuous addition was performed, the tip of the dropping port of the dropping funnel was in the state of being in the NMP solution (the state as shown in FIG. 1). After completion of the reaction, the temperature of the liquid containing the reaction product was brought to 100 C., and solid-liquid separation was carried out by filtration to obtain a solid component and a filtrate (a).From this filtrate (a), 20 g (0.20 mol) of N-methyl-2-pyrrolidone was removed by distillation under reduced pressure, the distillation residue was allowed to cool to 35 C. and solid-liquid separated by filtration, (B) and a filtrate were obtained.Thereafter, the solid component (b) was washed with 150 g (1.5 mol) of cyclohexanone to obtain a solid component (c).This solid component (c) was dried for 12 hours in a steam dryer at 90 to 100 C. As a result, 25.5 g of 6,6 '- (ethylenedioxy) di-2-naphthoic acid diethyl ester (yield: 86.5%).

Reference： [1]Patent: KR2015/84054,2015,A .Location in patent: Paragraph 0052-0054

63
[ 5542-49-4 ]
[ 17295-12-4 ]
6-hydroxy-5-(N-piperidinyl)-2-naphthoic ethyl ester [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2016,vol. 358,p. 3840 - 3846

64
[ 1483-74-5 ]
[ 17295-12-4 ]
ethyl 1-(2,2-diphenylvinylidene)-2,2-diphenyl-1,2-dihydronaphtho[2,1-b]furan-7-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
49%	With toluene-4-sulfonic acid; In chloroform; at 20℃;	General procedure: To a solution of naphthol and 1,1,4,4-tetraphenylbut-2-yn-1,4-diol 2 (1 eq.) in CHCl3 (15 mL) was added 4-toluenesulfonic acidmonohydrate (catalytic). The solution was stirred at room temperaturefor 1-24 h. After water addition (40 mL), the organicphase was separated and the aqueous phase extracted with CHCl3(3 25 mL). The organic phase was dried (Na2SO4) and the solventremoved under reduced pressure affording an oil that was purifiedby column chromatography on silica gel and/or recrystallization.

Reference： [1]Dyes and Pigments,2017,vol. 137,p. 593 - 600
[2]Dalton Transactions,2017,vol. 46,p. 9076 - 9087

65
[ 1483-74-5 ]
[ 17295-12-4 ]
7-hydroxymethyl-1,2-dihydro-1-(2,2-diphenylvinylidene)-2,2-diphenylnaphtho-[2,1-b]furan [ No CAS ]

Reference： [1]Dyes and Pigments,2017,vol. 141,p. 269 - 276

66
[ 17295-12-4 ]
ethyl 5-bromo-6-hydroxy-2-naphthoate [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2017,vol. 56,p. 2767 - 2771
Angew. Chem.,2017,vol. 129,p. 2811 - 2815,5

67
[ 17295-12-4 ]
ethyl 4-methyl-2'-oxo-2,3-diphenyl-2'H-spiro[indene-1,1'-naphthalene]-6'-carboxylate [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2017,vol. 56,p. 2767 - 2771
Angew. Chem.,2017,vol. 129,p. 2811 - 2815,5

68
[ 17295-12-4 ]
7-hydroxymethyl-1,2-dihydro-1-(2,2-diphenylvinylidene)-2,2-diphenylnaphtho-[2,1-b]furan [ No CAS ]

Reference： [1]Dalton Transactions,2017,vol. 46,p. 9076 - 9087

69
[ 17295-12-4 ]
1-(2,2-diphenylvinylidene)-(2,2-diphenyl-1,2-dihydronaphtho[2,1-b]furan-7-yl)methyl(3-(triethoxysilyl)propyl)carbamate [ No CAS ]

Reference： [1]Dalton Transactions,2017,vol. 46,p. 9076 - 9087

70
[ 17295-12-4 ]
[ 3848-27-9 ]
ethyl 2-phenylnaphtho[1,2-d]oxazole-7-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
45%	With iron(III) oxide; In 1,3,5-trimethyl-benzene; at 25℃; for 12h;	General procedure: A 0.3-fold molar amount of the catalyst, a 1-fold molar amount of a phenol and a 3.5-fold molar amount of the aldoxime ester are dissolved in a solvent and stirred Until the raw material disappears. The reaction system was concentrated under reduced pressure, dissolved in ethyl acetate, and washed with saturated aqueous sodium hydrogen carbonate and water, respectively. The resulting organic phase was dried over anhydrous sodium sulfate, filtered and the solvent removed under reduced pressure to give the crude product. After purification by column chromatography, a pure 2-substituted aryloxazole product is obtained

Reference： [1]Chemical Communications,2017,vol. 53,p. 9886 - 9889
[2]Patent: CN107556262,2018,A .Location in patent: Paragraph 0013; 0015-0017

71
[ 17295-12-4 ]
[ 13632-69-4 ]
C₄₁H₂₉BrO₃ [ No CAS ]
C₄₁H₂₉BrO₃ [ No CAS ]
C₄₁H₂₉BrO₃ [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2018,vol. 2018,p. 3291 - 3297

72
[ 1483-74-5 ]
[ 17295-12-4 ]
C₄₁H₃₀O₃ [ No CAS ]
C₄₁H₃₀O₃ [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2018,vol. 2018,p. 3291 - 3297

73
[ 17295-12-4 ]
[ 81290-20-2 ]
ethyl 6-hydroxy-5-((trifluoromethyl)thio)-2-naphthoate [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2018,vol. 360,p. 2894 - 2899

74
[ 17295-12-4 ]
[ 106-96-7 ]
ethyl 6-(prop-2-yn-1-yloxy)-2-naphthoate [ No CAS ]

Reference： [1]Organic Letters,2019

75
[ 17295-12-4 ]
ethyl 1-(but-1-en-2-yl)-2-phenylnaphtho[2,1-b]furan-7-carboxylate [ No CAS ]

Reference： [1]Organic Letters,2019

76
[ 17295-12-4 ]
ethyl 6-((4-hydroxy-4-phenylbut-2-yn-1-yl)oxy)-2-naphthoate [ No CAS ]

Reference： [1]Organic Letters,2019

77
[ 17295-12-4 ]
ethyl 6-((4-acetoxy-4-phenylbut-2-yn-1-yl)oxy)-2-naphthoate [ No CAS ]

Reference： [1]Organic Letters,2019

78
[ 17295-12-4 ]
ethyl 6-((2-ethyl-4-phenylbuta-2,3-dien-1-yl)oxy)-2-naphthoate [ No CAS ]

Reference： [1]Organic Letters,2019

79
[ 1135539-10-4 ]
[ 17295-12-4 ]
ethyl 1-(methylsulfonamido)-2-phenylnaphtho[2,1-b]furan-7-carboxylate [ No CAS ]

Reference： [1]Chemical Communications,2019,vol. 55,p. 4507 - 4510

80
[ 17295-12-4 ]
2,6-di-tert-butyl-4-(2-hydroxybenzylidene)cyclohex-2,5-diene-1-one [ No CAS ]
C₃₄H₃₈O₅ [ No CAS ]

Reference： [1]RSC Advances,2019,vol. 9,p. 24212 - 24217

81
[ 17295-12-4 ]
[ 75-08-1 ]
S-ethyl 6-hydroxynaphthalene-2-carbothioate [ No CAS ]

Reference： [1]Chemical Communications,2019,vol. 55,p. 13677 - 13680

82
[ 17295-12-4 ]
diethyl (S)-2,2’-dihydroxy-[1,1’-binaphthalene]-6,6’-dicarboxylate [ No CAS ]
diethyl (R)-2,2'-dihydroxy-[1,1'-binaphthalene]-6,6'-dicarboxylate [ No CAS ]

Reference： [1]Chemical Communications,2019,vol. 55,p. 13677 - 13680

83
[ 17295-12-4 ]
S,S-diethyl (S)-2,2’-dihydroxy-[1,1’-binaphthalene]-6,6’-bis(carbothioate) [ No CAS ]

Reference： [1]Chemical Communications,2019,vol. 55,p. 13677 - 13680

84
[ 17295-12-4 ]
S,S-diethyl (S)-2,2’-dihydroxy-[1,1’-binaphthalene]-6,6’-bis(carbothioate) [ No CAS ]
S,S-diethyl (R)-2,2'-dihydroxy-[1,1'-binaphthalene]-6,6'-bis(carbothioate) [ No CAS ]

Reference： [1]Chemical Communications,2019,vol. 55,p. 13677 - 13680

85
[ 583-55-1 ]
[ 17295-12-4 ]
[ 501-65-5 ]
ethyl 2'-oxo-2,3-diphenyl-2'H-spiro[indene-1,1'-naphthalene]-6'-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
78%	With palladium diacetate; In 1,4-dioxane; at 130℃; for 16h;Inert atmosphere;	Under argon, 0.02 mmol palladium acetate, 0.3 mmol reactant 1a, 0.3 mmol reactant 2b,0.3 mmol reactant 3d, 0.4 mmol potassium phosphate, 2.0 mL 1,4-dioxane, then heated to 130 in an oil bath, and reacted for 16 hours. After the reaction, the reaction solution was directly spin-dried, and the target product was separated by column chromatographyEthyl 2'-oxo-2,3-diphenyl-2'H-spiro[indene-1,1'-naphthalene]-6'-carboxylate(4c). Product data characterization: yellow solid (73.1 mg, yield: 78%).

Reference： [1]Patent: CN111116337,2020,A .Location in patent: Paragraph 0041

86
[ 29897-82-3 ]
[ 17295-12-4 ]
ethyl 5-(1-benzylpyrrolidin-2-yl)-6-hydroxy-2-naphthoate [ No CAS ]

Reference： [1]Organic Letters,2020,vol. 22,p. 4781 - 4785

87
[ 91562-62-8 ]
[ 17295-12-4 ]
ethyl 6-hydroxy-5-(1-(4-methylbenzyl)pyrrolidin-2-yl)-2-naphthoate [ No CAS ]

Reference： [1]Organic Letters,2020,vol. 22,p. 4781 - 4785

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Ghs Precautionary Statements

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Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
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Prevention
Code	Phrase
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P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
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P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
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Code	Phrase
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P320
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P321
P322
P330	Rinse mouth.
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P332	IF SKIN irritation occurs:
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P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
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P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
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P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
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P378
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P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
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P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
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P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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

[ CAS No. 17295-12-4 ] {[proInfo.proName]}

Quality Control of [ 17295-12-4 ]

Related Doc. of [ 17295-12-4 ]

Product Details of [ 17295-12-4 ]

Calculated chemistry of [ 17295-12-4 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 17295-12-4 ]

Application In Synthesis of [ 17295-12-4 ]

[ 17295-12-4 ] Synthesis Path-Upstream 1~5

[ 17295-12-4 ] Synthesis Path-Downstream 1~87

Related Functional Groups of [ 17295-12-4 ]

Aryls

Esters

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 17295-12-4 ]