[ CAS No. 4079-52-1 ] {[proInfo.proName]}

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Quality Control of [ 4079-52-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 4079-52-1 ]

Product Details of [ 4079-52-1 ]

CAS No. :	4079-52-1	MDL No. :	MFCD00008499
Formula :	C₉H₁₀O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YRNDGUSDBCARGC-UHFFFAOYSA-N
M.W :	150.17	Pubchem ID :	77698
Synonyms :

Safety of [ 4079-52-1 ]

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 [ 4079-52-1 ]

* 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 [ 4079-52-1 ]
Downstream synthetic route of [ 4079-52-1 ]

[ 4079-52-1 ] Synthesis Path-Upstream 1~3

1
[ 4079-52-1 ]
[ 485-89-2 ]

Reference： [1] Journal of Medicinal Chemistry, 1999, vol. 42, # 6, p. 1053 - 1065
[2] Journal of Medicinal Chemistry, 1996, vol. 39, # 12, p. 2281 - 2284

2
[ 4079-52-1 ]
[ 699-73-0 ]
[ 98-86-2 ]

Reference： [1] Canadian Journal of Chemistry, 1986, vol. 64, p. 1293 - 1296
[2] Canadian Journal of Chemistry, 1986, vol. 64, p. 1293 - 1296

3
[ 4079-52-1 ]
[ 31949-21-0 ]

Yield	Reaction Conditions	Operation in experiment
31%	With bromine In diethyl ether at 20℃; for 0.5 h;	To a stirred solution of 2-methoxyacetophenone (10 g, 67 mmol) in diethyl ether (100 mL) was added dropwise bromine (10.6 g, 3.4 mL, 67 mmol) while the temperature was kept below 30 °C. The mixture was stirred at room temperature for 30 min, and then was evaporated to dryness to give the product,which was purified by distillation at 170 °C to give the product (4.77 g, 31percent) as colourless crystals; mp41–44 °C (lit.,34 40–44 °C); 1H NMR δ 7.84–7.81 (m, 1H, H-6), 7.55–7.49 (m, 1H, H-4), 7.06–6.98 (m,2H, H-3 and 5), 4.61 (s, 2H, CH2Br), 3.95 (s, 3H, OMe).

Reference： [1] Heterocycles, 2016, vol. 93, # 1, p. 164 - 184

[ 4079-52-1 ] Synthesis Path-Downstream 1~14

1
[ 4079-52-1 ]
[ 699-73-0 ]
[ 98-86-2 ]

Reference： [1]Canadian Journal of Chemistry,1986,vol. 64,p. 1293 - 1296
[2]Canadian Journal of Chemistry,1986,vol. 64,p. 1293 - 1296

2
[ 324-03-8 ]
[ 4079-52-1 ]
7-fluoro-3-methoxy-2-phenylquinoline-4-carboxylic acid hydrochloride [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2004,vol. 12,p. 4533 - 4541

3
[ 20780-77-2 ]
[ 4079-52-1 ]
7-iodo-3-methoxy-2-phenylquinoline-4-carboxylic acid hydrochloride [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2004,vol. 12,p. 4533 - 4541

4
[ 62668-02-4 ]
[ 4079-52-1 ]
2-methoxy-1-phenyl-2-(1,3-diphenyl-2-propenyl)ethanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
82%	With indium(III) chloride In toluene at 80℃; for 15h;

Reference： [1]Yasuda, Makoto; Somyo, Toshio; Baba, Akio [Angewandte Chemie - International Edition, 2006, vol. 45, # 5, p. 793 - 796]

5
[ 4079-52-1 ]
[ 485-89-2 ]

Reference： [1]Journal of Medicinal Chemistry,1999,vol. 42,p. 1053 - 1065
[2]Journal of Medicinal Chemistry,1996,vol. 39,p. 2281 - 2284

6
[ 4079-52-1 ]
[ 174636-32-9 ]

Reference： [1]Journal of Medicinal Chemistry,1999,vol. 42,p. 1053 - 1065
[2]Journal of Medicinal Chemistry,1996,vol. 39,p. 2281 - 2284

7
[ 4079-52-1 ]
[ 91-56-5 ]
[ 181048-49-7 ]

Yield	Reaction Conditions	Operation in experiment
		R.14 Synthesis of 2-(2'-methoxyphenyl)quinoline-4-carboxylic Acid Reference Example 14 Synthesis of 2-(2'-methoxyphenyl)quinoline-4-carboxylic Acid The above-mentioned compound (0.91 g) was formed from 1.47 g of isatin and 3.0 g of 2-methoxyacetophenone in the same manner as in Reference Example 1. 1 H-NMR(DMSO-d6), δ:3.89(s, 3H), 7.14(t, 1H), 7.22(d, 1H), 7.50(t, 1H), 7.72(t, 1H), 7.85(m, 2H), 8.13(d, 1H), 8.33(s, 1H), 8.92(d, 1H)

Reference： [1]Current Patent Assignee: MITSUI CHEMICALS,INC. - US5627193, 1997, A

8
[ 4079-52-1 ]
[ 464-72-2 ]
[ 119-61-9 ]
C₂₂H₂₂O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
90%	With titanium(IV) tetrabutoxide; triethylsilyl chloride In dichloromethane at 20℃;

Reference： [1]Scheffler, Ulf; Stoesser, Reinhard; Mahrwald, Rainer [Advanced synthesis and catalysis, 2012, vol. 354, # 14-15, p. 2648 - 2652,5]

9
[ 4079-52-1 ]
[ 29124-57-0 ]
6-bromo-3-methoxy-2-phenylquinoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide; In ethanol; water; at 95℃; for 0.25h;	A mixture of KOH pellets (0.775 g, ?15 w/w % water, ?11.8 mmol), <strong>[29124-57-0]2-amino-5-bromobenzaldehyde</strong> (2.31 g, 11.6 mmol), and absolute EtOH (36 mL) was treated with 2-methoxy-1-phenylethanone (1.67 mL, 12.1 mmol), and the dark solution with undissolved KOH was stirred at 95 C. for 15 minutes. The dark homogeneous reaction was allowed to cool to room temperature, and within 1 hour crystallization seemed complete. The reaction was then shaken with water (36 mL) and filtered, and the orange-red filter cake was washed with water (36 mL). The filter cake was air-dried at 110 C. to provide the title compound as orange-tan fine crystals.

Reference： [1]Patent: US2015/111870,2015,A1 .Location in patent: Paragraph 0355; 0356

10
[ 4079-52-1 ]
[ 29124-57-0 ]
(2,4-dimethylthiazol-5-yl)(3-methoxy-2-phenylquinolin-6-yl)(1-methyl-1H-1,2,3-triazol-5-yl)methanol [ No CAS ]

Reference： [1]Patent: US2015/111870,2015,A1

11
[ 591-50-4 ]
[ 4079-52-1 ]
[ 3524-62-7 ]

Yield	Reaction Conditions	Operation in experiment
94%	With potassium <i>tert</i>-butylate In N,N-dimethyl-formamide at 60℃; for 13h; Inert atmosphere; Schlenk technique;

Reference： [1]Pichette Drapeau, Martin; Fabre, Indira; Grimaud, Laurence; Ciofini, Ilaria; Ollevier, Thierry; Taillefer, Marc [Angewandte Chemie - International Edition, 2015, vol. 54, # 36, p. 10587 - 10591][Angew. Chem., 2015, vol. 127, # 36, p. 10733 - 10737,5]

12
[ 6919-61-5 ]
[ 107-30-2 ]
[ 4079-52-1 ]

Reference： [1]Chemical Communications,2016,vol. 52,p. 7584 - 7587

13
[ 4079-52-1 ]
[ 15206-55-0 ]

Yield	Reaction Conditions	Operation in experiment
92%	With iodine; sodium carbonate In 1,2-dichloro-ethane at 60℃; for 3h;	General experimental procedure for the synthesis of α-ketoesters General procedure: To a mixture of trifluoromethyl β-diketones 1 (0.5 mmol, 1.0 equiv), alcohols 2 (1.5 mmol, 3.0 equiv), I2S2(0.55 mmol, 1.1 equiv), tert-butyl hydroperoxide (1.25 mmol, 2.5 equiv) and Na2CO3 (0.5 mmol, 1.0 equiv) wasadded 1,2-dichloroethane (1.5 mL) at room temperature. The reaction mixture was then stirred at 60 oC for 7.0 h.When the reaction was completed (monitored by TLC), the reaction was quenched with 2 mL of saturated NH4Claqueous and 4 mL of saturated Na2S2O3 aqueous. After extraction with EtOAc and drying with Na2SO4, theorganic layer was concentrated under reduced pressure and the residue was purified by column chromatography onsilica gel using hexanes/EtOAc (100:1 to 50:1) as eluent to afford the desired products 3.

Reference： [1]Shao, Tongle; Fang, Xiang; Zhou, Jun; Jin, Chen; Yang, Xueyan; Wu, Fanhong [Synlett, 2017, vol. 28, # 15, p. 2018 - 2023]

14
[ 4079-52-1 ]
[ 174636-76-1 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: methoxymethyl phenyl ketone With titanium(IV) isopropylate; ammonia In ethanol Stage #2: With sodium tetrahydroborate In ethanol at 20℃;	A-1 2-methoxy- 1 -phenylethan-1 -amine: Commercially available 2-m ethoxy- 1-phenylethan-l -one (200 mg, 1.26 mmol, 1 equiv.) was dissolved in dry EtOH (5 mL). Titanium tetraisopropanolate (741 mg, 0.77 mL, 2.53 mmol, 2 equiv.) was added followed by 7M Mb (0.90 mL, 6.33 mmol, 5 equiv.) and the resulting mixture was stirred overnight. NaBHi (86.2 mg, 2.27 mmol, 1.8 equiv.) was then added portionwise and stirred at room temperature overnight. Progress of the reaction was monitored by HPLC. The mixture was quenched with aqueous Mb (6 mL) leading to precipitation. The precipitate was filtered and washed with H2O (10 mL), and EtOAc (2 x 20 mL). The layers were separated and the aqueous phase was extracted with EtOAc (20 mL). The combined organic phases were dried over Na2S04, filtered and evaporated to yield a yellow gum (masse = 191 mg, purity ~ 70 %). The crude was used without further purification. NMR (400 MHz, CDCb) d 7.39-7.29 (m, 5H), 4.19 (dd, J= 8.7 Hz, J = 4.0 Hz), 3.5 l(dd, J = 9.2 Hz, J = 3.9 Hz), 3.38 (s, 3H), 3.40-3.35 (m, 1H). 13C NMR (101 MHz, CDCb) d 142.5, 128.5, 127.5, 126.9, 78.9, 59.0, 55.5.

Reference： [1]Current Patent Assignee: NATIONAL INSTITUTE OF HEALTH AND MEDICAL RESEARCH; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITY OF STRASBOURG; UNIVERSITY OF MONTPELLIER; ECOLE PRATIQUE DES HAUTES ETUDES - WO2021/123174, 2021, A1 Location in patent: Page/Page column 37; 44

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Code	Phrase
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P306	IF ON CLOTHING:
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P321
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P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
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P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
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P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
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P378
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P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
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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.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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:
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[ CAS No. 4079-52-1 ] {[proInfo.proName]}

Quality Control of [ 4079-52-1 ]

Related Doc. of [ 4079-52-1 ]

Product Details of [ 4079-52-1 ]

Safety of [ 4079-52-1 ]

Application In Synthesis of [ 4079-52-1 ]

[ 4079-52-1 ] Synthesis Path-Upstream 1~3

[ 4079-52-1 ] Synthesis Path-Downstream 1~14

Precautionary Statements-General

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