[ CAS No. 26673-30-3 ]

Name: 26673-30-3|5-Chloro-3,4-dihydronaphthalen-1(2H)-one|95%
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SKU: A104491
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Quality Control of [ 26673-30-3 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 26673-30-3 ]

CAS No. :	26673-30-3	MDL No. :	MFCD08544416
Formula :	C₁₀H₉ClO	Boiling Point :	306.2°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	-
M.W :	180.63 g/mol	Pubchem ID :	12206522
Synonyms :

Safety of [ 26673-30-3 ]

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 [ 26673-30-3 ]

Upstream synthesis route of [ 26673-30-3 ]
Downstream synthetic route of [ 26673-30-3 ]

[ 26673-30-3 ] Synthesis Path-Upstream 1~12

1
[ 41823-28-3 ]
[ 26673-30-3 ]

Yield	Reaction Conditions	Operation in experiment
62%	Stage #1: With hydrogenchloride; sodium nitrite In ethanol; water at 0℃; for 0.25 h; Stage #2: With copper(l) chloride In ethanol; water at 95℃; for 0.25 h;	5-amino-3,4-dihydronaphthalen-l(2H)-one (1 g, 6.2 mmol) in HCl (36percent, 2 mL) and EtOH (8 mL) at 0 °C was treated with an aqueous solution of NaN0₂ (0.582 g, 8.4 mmol in 1 mL water for 15 min. This mixture was added to a solution of CuCl (0.3 g, 3.1 mmol) in HCl (36percent, 10 mL) at 95 °C and kept at this temperature for 15 min. The solution was cooled down to room temperature, diluted with water, and extracted with EtOAc. The organic phase was collected, washed with sat. NaHCC , dried over MgSC , and purified by column chromatography with 40-50percent EtOAc:Hex on silica gel. Desired compound was afforded. (0.7 g, 62percent). NMR (400 MHz, chloroform-d) δ 7.53 (dd, / = 7.8, 1.2 Hz, 1H), 7.14 (tt, / = 7.8, 0.7 Hz, 1H), 6.88 (dd, / = 7.8, 1.2 Hz, 1H), 3.70 (s, 2H), 2.69 (t, / = 6.2 Hz, 2H), 2.66 - 2.60 (m, 2H), 2.30 - 2.07 (m, 2H).

Reference： [1] Patent: WO2017/106624, 2017, A1, . Location in patent: Paragraph 00141

2
[ 68449-31-0 ]
[ 26673-30-3 ]

Reference： [1] Angewandte Chemie - International Edition, 2013, vol. 52, # 35, p. 9266 - 9270[2] Angew. Chem., 2013, vol. 125, # 35, p. 9436 - 9440
[3] Chemistry - A European Journal, 2015, vol. 21, # 14, p. 5561 - 5583
[4] Journal of the Chemical Society, 1959, p. 1027,1029

3
[ 90401-68-6 ]
[ 26673-30-3 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1984, vol. 32, # 1, p. 130 - 151

4
[ 96-48-0 ]
[ 108-90-7 ]
[ 26673-30-3 ]
[ 26673-32-5 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 8, p. 2281 - 2284

5
[ 22991-05-5 ]
[ 26673-30-3 ]

Reference： [1] Chemical Communications, 2016, vol. 52, # 56, p. 8757 - 8760

6
[ 62903-14-4 ]
[ 26673-30-3 ]

Reference： [1] Chemical Communications, 2016, vol. 52, # 56, p. 8757 - 8760

7
[ 108-90-7 ]
[ 26673-30-3 ]

Reference： [1] Chemical Communications, 2016, vol. 52, # 56, p. 8757 - 8760

8
[ 51114-94-4 ]
[ 26673-30-3 ]

Reference： [1] Chemical Communications, 2016, vol. 52, # 56, p. 8757 - 8760

9
[ 529-34-0 ]
[ 26673-30-3 ]

Reference： [1] Patent: WO2017/106624, 2017, A1,

10
[ 51114-73-9 ]
[ 26673-30-3 ]

Reference： [1] Patent: WO2017/106624, 2017, A1,

11
[ 96-48-0 ]
[ 108-90-7 ]
[ 26673-30-3 ]

Reference： [1] Archiv der Pharmazie, 1975, vol. 308, # 2, p. 94 - 109

12
[ 96-48-0 ]
[ 108-90-7 ]
[ 26673-30-3 ]
[ 26673-32-5 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 8, p. 2281 - 2284

[ 26673-30-3 ] Synthesis Path-Downstream 1~25

1
[ 26673-30-3 ]
[ 90400-78-5 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1984,vol. 32,p. 130 - 151

2
[ 26673-30-3 ]
μ-chloro-μ-methylene[bis(cyclopentadienyl)titanium]dimethylaluminum [ No CAS ]
5-chloro-1-methylene-1,2,3,4-tetrahydro-naphthalene [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 4216 - 4231

3
[ 96-48-0 ]
[ 108-90-7 ]
[ 26673-30-3 ]
[ 26673-32-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 2281 - 2284

4
[ 26673-30-3 ]
[ 1021-25-6 ]
[ 779310-74-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 2281 - 2284

5
[ 26673-30-3 ]
2-(5-chloro-3,4-dihydro-naphthalen-1-ylmethyl)-3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-1H-benzo[d][1,2]oxazin-6-yl)-propionamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 4216 - 4231

6
[ 26673-30-3 ]
2-(5-chloro-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-1H-benzo[d][1,2]oxazin-6-yl)-propionamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 4216 - 4231

7
[ 26673-30-3 ]
[ 530093-96-0 ]