[ CAS No. 641-49-6 ]

Name: 641-49-6|3-Fluoro-2-nitroanisole|98%
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SKU: A138158
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Quality Control of [ 641-49-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 641-49-6 ]

Product Details of [ 641-49-6 ]

CAS No. :	641-49-6	MDL No. :	MFCD07368752
Formula :	C₇H₆FNO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GMWOSSBFNSZKAH-UHFFFAOYSA-N
M.W :	171.13	Pubchem ID :	2782776
Synonyms :

Calculated chemistry of [ 641-49-6 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	41.71
TPSA :	55.05 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.4
Log Po/w (XLOGP3) :	1.82
Log Po/w (WLOGP) :	2.16
Log Po/w (MLOGP) :	1.05
Log Po/w (SILICOS-IT) :	0.1
Consensus Log Po/w :	1.31

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.29
Solubility :	0.887 mg/ml ; 0.00518 mol/l
Class :	Soluble
Log S (Ali) :	-2.6
Solubility :	0.434 mg/ml ; 0.00254 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.18
Solubility :	1.13 mg/ml ; 0.00661 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.87

Safety of [ 641-49-6 ]

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P201-P261-P301+P310-P305+P351+P338-P308+P313	UN#:	2811
Hazard Statements:	H301-H315-H319-H335-H350	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 641-49-6 ]

* 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 [ 641-49-6 ]
Downstream synthetic route of [ 641-49-6 ]

[ 641-49-6 ] Synthesis Path-Upstream 1~10

1
[ 641-49-6 ]
[ 385-01-3 ]

Reference： [1] ChemMedChem, 2017, vol. 12, # 17, p. 1436 - 1448
[2] Journal of Labelled Compounds and Radiopharmaceuticals, 2006, vol. 49, # 7, p. 623 - 634
[3] Patent: WO2011/106986, 2011, A1, . Location in patent: Page/Page column 119; 120

2
[ 641-49-6 ]
[ 446-61-7 ]

Yield	Reaction Conditions	Operation in experiment
83%	With palladium 10% on activated carbon; hydrogen In ethanol	To an EtOH solution (400 mL) containing 10percent Pd/C (7.46 g, 70.1 mmol) in a Parr vessel was added 1 -fluoro-3-methoxy-2-nitrobenzene (40.0 g, 234 mmol). The vessel was evacuated under vacuum and refilled with hydrogen (50 psi). The reaction was shaken 5 h, filtered through Celite^® and concentrated to give the title compound (30.0 g, 83percent) as a colorless oil. ¹H NMR (400 MHz, CDCI₃) δ 3.75 (br s, 2 H), 3.86 (s, 3 H), 6.58-6.71 (m, 3 H); LC-MS (LC-ES) M+H = 142.

Reference： [1] Patent: WO2018/69863, 2018, A1, . Location in patent: Page/Page column 248
[2] Journal of the American Chemical Society, 1932, vol. 54, p. 2973,2976
[3] Journal of the Chemical Society, 1931, p. 981
[4] Journal of Medicinal Chemistry, 1993, vol. 36, # 11, p. 1641 - 1653

3
[ 641-49-6 ]
[ 446-59-3 ]

Reference： [1] Journal of the Chemical Society, 1931, p. 981

4
[ 67-56-1 ]
[ 19064-24-5 ]
[ 641-49-6 ]

Yield	Reaction Conditions	Operation in experiment
95%	for 3 h; Heating / reflux	To a solution of 2,6-difluoronitrobenzene (5 g, 32 mmol) in methanol (50 mL) was added potassium hydroxide (1.8 g, 32.5 mmol), and the mixture was heated to reflux for 3 hr. Water was added, and the mixture was extracted with dichloromethane. The organic layer was separated, dried, filtered, and evaporated to yield 5.1 g (95percent) of 1-fluoro-3-methoxy-2-nitrobenzene, 1e. MS m/z (MH⁺) 172.

Reference： [1] Patent: US2006/135763, 2006, A1, . Location in patent: Page/Page column 32-33
[2] Patent: US2009/93459, 2009, A1, . Location in patent: Page/Page column 29

5
[ 19064-24-5 ]
[ 124-41-4 ]
[ 641-49-6 ]

6
[ 385-01-3 ]
[ 77-78-1 ]
[ 641-49-6 ]

Reference： [1] Journal of the American Chemical Society, 1932, vol. 54, p. 2973,2976

7
[ 16554-47-5 ]
[ 641-49-6 ]

Reference： [1] Journal of Medicinal Chemistry, 1993, vol. 36, # 11, p. 1641 - 1653

8
[ 4920-80-3 ]
[ 641-49-6 ]

Reference： [1] Journal of Medicinal Chemistry, 1993, vol. 36, # 11, p. 1641 - 1653

9
[ 15865-57-3 ]
[ 641-49-6 ]

Reference： [1] Journal of Medicinal Chemistry, 1993, vol. 36, # 11, p. 1641 - 1653

10
[ 641-49-6 ]
[ 53981-23-0 ]

Reference： [1] Journal of Labelled Compounds and Radiopharmaceuticals, 2006, vol. 49, # 7, p. 623 - 634
[2] Patent: WO2011/106986, 2011, A1,
[3] ChemMedChem, 2017, vol. 12, # 17, p. 1436 - 1448

[ 641-49-6 ] Synthesis Path-Downstream 1~68

1
[ 641-49-6 ]
[ 446-61-7 ]

Yield	Reaction Conditions	Operation in experiment
83%	With palladium 10% on activated carbon; hydrogen; In ethanol; under 2585.81 Torr;	To an EtOH solution (400 mL) containing 10% Pd/C (7.46 g, 70.1 mmol) in a Parr vessel was added 1 -fluoro-3-methoxy-2-nitrobenzene (40.0 g, 234 mmol). The vessel was evacuated under vacuum and refilled with hydrogen (50 psi). The reaction was shaken 5 h, filtered through Celite and concentrated to give the title compound (30.0 g, 83%) as a colorless oil. 1H NMR (400 MHz, CDCI3) delta 3.75 (br s, 2 H), 3.86 (s, 3 H), 6.58-6.71 (m, 3 H); LC-MS (LC-ES) M+H = 142.

Reference： [1]Patent: WO2018/69863,2018,A1 .Location in patent: Page/Page column 248
[2]Journal of the American Chemical Society,1932,vol. 54,p. 2973,2976
[3]Journal of the Chemical Society,1931,p. 981
[4]Journal of Medicinal Chemistry,1993,vol. 36,p. 1641 - 1653

2
[ 385-01-3 ]
[ 77-78-1 ]
[ 641-49-6 ]

Reference： [1]Journal of the American Chemical Society,1932,vol. 54,p. 2973,2976

3
[ 16554-47-5 ]
[ 641-49-6 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 1641 - 1653

4
[ 19064-24-5 ]
[ 124-41-4 ]
[ 641-49-6 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; at 0 - 20℃; for 15h;	To a 0 C solution of l,3-difluoro-2-nitrobenzene (100 g, 0.63 mol) in MeOH (1.3L) was slowly added a solution of MeONa (0.69 mol, in MeOH, freshly prepared from 15.9 g of sodium metal and 200 mL of MeOH). The resulting reaction was allowed to stir for about 15 hours at room temperature, then the reaction mixture was concentrated and diluted with EtOAc. The organic phase was washed sequentially with water and brine, dried over Na2S04, then filtered and concentrated in vacuo to provide l-fluoro-3-methoxy-2-nitrobenzene (98 g, yield: 91.4%), which was used without further purification. 1H-NMR (CDC13, 400 MHz) delta 7.38-7.44 (m, 1H), 6.72-6.88 (m, 2H), 3.95 (s, 3H).

Reference： [1]ChemMedChem,2017,vol. 12,p. 1436 - 1448
[2]Journal of labelled compounds and radiopharmaceuticals,2006,vol. 49,p. 623 - 634
[3]Patent: WO2011/106986,2011,A1 .Location in patent: Page/Page column 119

5
[ 641-49-6 ]
[ 385-01-3 ]

Yield	Reaction Conditions	Operation in experiment
		To a -40 °C solution of l-fluoro-3-methoxy-2-nitrobenzene (98 g, 0.57 mol) in dichloromethane (500 mL) was added dropwise a solution of BBr3 (1 L, 1 M in dichloro methane The resulting reaction was allowed to stir for about 15 hours at room temperature, then the reaction mixture was slowly poured into ice water (500 mL). The resulting solution was extracted with EtOAc (300 mL x 3), and the combined organic layers were washed with sequentially with 5percent aqueous NaHC03 and brine, then dried over Na2S04, filtered and concentrated in vacuo to provide 3-fluoro-2-nitrophenol (85 g, yield: 95percent), which was used without further purification. 1H-NMR (CDCI3, 400 MHz) delta 7.43-7.49 (m, 1H), 6.88 (d, J= 8.0 Hz, 1H), 6.73-6.78 (m, 1H).

6
[ 641-49-6 ]
[ 384346-28-5 ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2006,vol. 49,p. 623 - 634

7
[ 641-49-6 ]
C₈H₇⁽³⁾HFNO₂ [ No CAS ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2006,vol. 49,p. 623 - 634

8
[ 641-49-6 ]
C₈H₇⁽³⁾HFNO₂ [ No CAS ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2006,vol. 49,p. 623 - 634

9
[ 641-49-6 ]
C₈H₇⁽³⁾HFNO₂ [ No CAS ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2006,vol. 49,p. 623 - 634

10
[ 641-49-6 ]
[ 1058225-29-8 ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2006,vol. 49,p. 623 - 634

11
[ 641-49-6 ]
[ 53981-23-0 ]

Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2006,vol. 49,p. 623 - 634
[2]Patent: WO2011/106986,2011,A1
[3]ChemMedChem,2017,vol. 12,p. 1436 - 1448

12
[ 641-49-6 ]
[ 204439-03-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1998,vol. 8,p. 133 - 138

13
[ 641-49-6 ]
(R)-2-Amino-3-(3-methoxy-2-nitro-benzenesulfonyl)-propionic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1998,vol. 8,p. 133 - 138

14
[ 641-49-6 ]
[ 958489-85-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1998,vol. 8,p. 133 - 138
[2]Patent: US2009/93459,2009,A1

15
[ 641-49-6 ]
[ 958489-84-4 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1998,vol. 8,p. 133 - 138

16
[ 641-49-6 ]
(R)-3-(2-Amino-3-methoxy-phenylsulfanyl)-2-tert-butoxycarbonylamino-propionic acid benzhydryl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1998,vol. 8,p. 133 - 138

17
[ 641-49-6 ]
(R)-3-(2-Amino-3-methoxy-benzenesulfonyl)-2-tert-butoxycarbonylamino-propionic acid benzhydryl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1998,vol. 8,p. 133 - 138

18
[ 641-49-6 ]
(R)-2-Amino-3-(2-amino-3-methoxy-benzenesulfonyl)-propionic acid; compound with trifluoro-acetic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1998,vol. 8,p. 133 - 138

19
[ 4920-80-3 ]
[ 641-49-6 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 1641 - 1653

20
[ 15865-57-3 ]
[ 641-49-6 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 1641 - 1653

21
[ 641-49-6 ]
[ 148726-43-6 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 1641 - 1653
[2]Journal of Medicinal Chemistry,1993,vol. 36,p. 1641 - 1653

22
[ 641-49-6 ]
[ 1026693-18-4 ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 1641 - 1653
[2]Journal of Medicinal Chemistry,1993,vol. 36,p. 1641 - 1653

23
[ 641-49-6 ]
(2-Fluoro-6-methoxy-phenyl)-carbamic acid phenyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 1641 - 1653

24
[ 641-49-6 ]
N-[6-Fluoro-2-{3-(5-methyl-4-phenyl-1H-imidazol-1-yl)-propoxy}]phenyl-N'-pentylurea [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 1641 - 1653
[2]Journal of Medicinal Chemistry,1993,vol. 36,p. 1641 - 1653

25
[ 641-49-6 ]
[ 446-60-6 ]

Reference： [1]Journal of the Chemical Society,1931,p. 981

26
[ 641-49-6 ]
[ 446-59-3 ]

Reference： [1]Journal of the Chemical Society,1931,p. 981

27
[ 641-49-6 ]
[ 7079-54-1 ]

Reference： [1]Journal of the American Chemical Society,1932,vol. 54,p. 2973,2976
[2]Journal of the Chemical Society,1931,p. 981

28
[ 641-49-6 ]
[ 340-33-0 ]

Reference： [1]Journal of the American Chemical Society,1932,vol. 54,p. 2973,2976

29
[ 641-49-6 ]
3,3'-diacetyl-2,2'-difluoro-6,6'-dimethoxy-biphenyl [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1932,vol. 54,p. 2973,2976

30
[ 641-49-6 ]
[ 75700-40-2 ]

Reference： [1]Journal of the American Chemical Society,1932,vol. 54,p. 2973,2976

31
[ 67-56-1 ]
[ 19064-24-5 ]
[ 641-49-6 ]

Yield	Reaction Conditions	Operation in experiment
95%	With potassium hydroxide; for 3h;Heating / reflux;	To a solution of 2,6-difluoronitrobenzene (5 g, 32 mmol) in methanol (50 mL) was added potassium hydroxide (1.8 g, 32.5 mmol), and the mixture was heated to reflux for 3 hr. Water was added, and the mixture was extracted with dichloromethane. The organic layer was separated, dried, filtered, and evaporated to yield 5.1 g (95%) of 1-fluoro-3-methoxy-2-nitrobenzene, 1e. MS m/z (MH+) 172.
		EXAMPLE 18; (2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-N-[(3R)-6-methoxy-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-8,8-dimethylnon-6-enamide; Step 1: Preparation of 1-fluoro-3-methoxy-2-nitrobenzene (52); 252 mg of sodium hydride as a 60% suspension in oil (6.29 mmol) are placed in a 100 mL three-necked flask containing 10 mL of THF and 0.255 mL of MeOH. The mixture is stirred at room temperature for 1 hour, and a solution of 2,6-difluoronitrobenzene 47 (1.0 g, 6.29 mmol) in 10 mL of THF is added. The reaction medium is left at room temperature for 16 hours. 10 mL of EtOAc are added and the resulting mixture is washed twice with 20 mL of distilled water. The organic phase is dried over MgSO4, filtered and finally evaporated to dryness. 0.93 g of product 52 is obtained (cream-coloured solid).1H NMR (400 MHz, DMSO-d6), delta (ppm): 3.95 (s, 3H); 7.15 (broad t, J=8.0 Hz, 1H); 7.21 (broad d, J=8.0 Hz, 1H); 7.65 (dt, J=6.0 and 8.0 Hz, 1H).

Reference： [1]Patent: US2006/135763,2006,A1 .Location in patent: Page/Page column 32-33
[2]Patent: US2009/93459,2009,A1 .Location in patent: Page/Page column 29

32
[ 641-49-6 ]
[ 58859-46-4 ]
[ 1095274-86-4 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium iodide; In N,N-dimethyl-formamide; at 140℃; for 6h;	1-Fluoro-3-(methyloxy)-2-nitrobenzene (25.81 g, 0.151 mol) was combined with ethyl 4-amino-1 -piperidinecarboxylate (29.78 g, 0.166 mol) with potassium iodide (0.25 g, 1.51 mmol) in N,N-dimethylformamide (239 ml.) and the mixture heated at14O0C for 6 hours. The mixture was left to stand over the weekend and then diluted with ethyl acetate (478 ml.) and water (478 ml.) and washed with water (2x478 ml_).After drying over sodium sulfate and evaporation to dryness a dark oil was obtained.After purification by column chromatography (5-15% ethyl acetate in dichloromethane) the title compound was obtained as a red oil.

Reference： [1]Patent: WO2009/819,2008,A1 .Location in patent: Page/Page column 67

33
[ 20887-95-0 ]
[ 641-49-6 ]
[ 958489-84-4 ]

Yield	Reaction Conditions	Operation in experiment
		Step 2: Preparation of the acid N-[(2,2-dimethylpropanoyl)oxy]-S-(3-methoxy-2-nitrophenyl)-L-cysteine (53); A solution of 52 (1.1 g, 6.428 mmol) in 17 mL of ethanol is placed in a 100 mL three-necked flask containing 1.422 g of L-Boc-Cys-OH (6.428 mmol), 13 mL of water and 1.561 g of NaHCO3 (18.58 mmol). The medium is heated at 100 C. for 6 hours. The ethanol is evaporated off, the aqueous phase is then washed with 20 mL of ether, and once the ether phase has been separated out by settling, the aqueous phase is brought to pH 2-3 with HCl (1N) and extracted twice with 25 mL of EtOAc. The organic phases are combined, dried over MgSO4, filtered and finally evaporated to dryness. The residues are chromatographed on a silica cartridge (25 g, CH2Cl2/MeOH eluent as a gradient: 1% to 10% MeOH), 2.43 g of product 53 are obtained (cream-coloured solid).1H NMR (400 MHz, DMSO-d6), delta (ppm): 1.39 (s, 9H); 3.17 (dd, J=10.0 and 14.0 Hz, 1H); 3.40 (dd, J=4.0 and 14.0 Hz, 1H); 3.89 (s, 3H); 4.03 (m, 1H); 7.20 (d, J=8.0 Hz, 1H); 7.23 (m, 2H); 7.54 (t, J=8.0 Hz, 1H); 12.8 (broad m, 1H).

Reference： [1]Patent: US2009/93459,2009,A1 .Location in patent: Page/Page column 29

34
[ 23328-88-3 ]
[ 641-49-6 ]
[ 1159795-47-7 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In N,N-dimethyl-formamide; at 90℃; for 16h;	Intermediate 1D: 2-Bromo-1-(3-methoxy-2-nitro-phenyl)-4-methyl-1H-imidazole <strong>[23328-88-3]2-bromo-4-methyl imidazole</strong> (3.7 g, 23.4 mmol) and 2-fluoro-6-methoxy-nitrobenzene were dissolved in DMF (80 mL). To this was then added potassium carbonate (6.3 g, 46.8 mmol). The reaction was heated to 90 C. for 16 hrs then poured into water and extracted with ethyl acetate. The organic layer was separated and washed with water then brined, dried over magnesium sulfate and filtered. The solvent was removed under reduced pressure and the crude purified by flash chromatography on silica gel in 20:1 ethyl acetate/methylene chloride. A tan solid (2.6 g) was recovered. MS (ES) m/z 311.9 [M+1]+

Reference： [1]Patent: US2009/143367,2009,A1 .Location in patent: Page/Page column 40

35
[ 641-49-6 ]
[ 74-89-5 ]
[ 1143575-95-4 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; for 10h;Reflux;	3-Fluoro-2-nitroanisole (4.5 g; Apollo) was mixed with methylamine (50 ml_, 27% w/w solution in MeOH) and the mixture was heated to reflux for 10 hr. After cooling to room temperature the solvent was evaporated to give the title compound (4.0 g).
	In methanol; water; at 70℃;	Example 3: 5-methoxy-1-methyl-1 ,4-dihydroquinoxaline-2,3-dione Step 1 : A solution of 1-fluoro-3-methoxy-2-nitro-phenyl (2.36 g) and 40% aqueous methylamine (16.1 mL) in methanol (50 mL) is heated at 700C overnight. The solvent is removed under reduced pressure and the crude taken up into ethyl acetate. The organic solution is washed with water then dried over sodium sulphate. A red solid (2.33 g) crystallises after removal of the solvent; 1H NMR (DMSO-de, 300 MHz): delta [ppm] 2.72 (d, 3H); 3.78 (s, 3H); 6.17 (q, 1H); 6.37 (d, 1 H); 6.40 (d, 1H); 7.27 (dd, 1 H).

Reference： [1]Patent: WO2011/12622,2011,A1 .Location in patent: Page/Page column 75
[2]Patent: WO2009/152909,2009,A1 .Location in patent: Page/Page column 35

36
[ 641-49-6 ]
[ 177477-60-0 ]

Reference： [1]Patent: WO2011/12622,2011,A1
[2]Patent: WO2009/152909,2009,A1

37
[ 641-49-6 ]
[ 1263413-42-8 ]

Reference： [1]Patent: WO2011/12622,2011,A1

38
[ 641-49-6 ]
[ 1333241-64-7 ]

Reference： [1]Patent: WO2011/106986,2011,A1
[2]ChemMedChem,2017,vol. 12,p. 1436 - 1448

39
[ 641-49-6 ]
[ 1333244-41-9 ]

Reference： [1]Patent: WO2011/106986,2011,A1
[2]ChemMedChem,2017,vol. 12,p. 1436 - 1448

40
[ 641-49-6 ]
[ 1333244-40-8 ]

Reference： [1]Patent: WO2011/106986,2011,A1
[2]ChemMedChem,2017,vol. 12,p. 1436 - 1448

41
[ 641-49-6 ]
[ 5332-73-0 ]
[ 1365884-92-9 ]

Yield	Reaction Conditions	Operation in experiment
80%	In N,N-dimethyl-formamide; at 20℃;	Into a 25 mL round bottomed was added <strong>[641-49-6]1-fluoro-3-methoxy-2-nitrobenzene</strong> (500 mg, 2.92 mmol) and N,N-dimethylforamide (5.8 mL). The flask was cooled to -15 C. and 3-methoxypropylamine (313 mg, 3.5 mmol) in N,N-dimethylforamide (2.2 mL) was slowly added. The reaction was allowed to warm to room temperature overnight. Solvent was removed under vacuum and the residue was purified by column chromatography (20% ethylacetate:hexanes) to give 3-methoxy-N-(3-methoxypropyl)-2-nitroaniline (37A) as a yellow oil (560 mg, 80% yield). ESI-MS:m/z 241.3 (M+H)+.

Reference： [1]Patent: US8138168,2012,B1 .Location in patent: Page/Page column 282

42
[ 641-49-6 ]
[ 1365884-93-0 ]

Reference： [1]Patent: US8138168,2012,B1

43
[ 641-49-6 ]
[ 1365884-97-4 ]

Reference： [1]Patent: US8138168,2012,B1

44
[ 641-49-6 ]
[ 1365884-94-1 ]

Reference： [1]Patent: US8138168,2012,B1

45
[ 641-49-6 ]
[ 1365884-95-2 ]

Reference： [1]Patent: US8138168,2012,B1

46
[ 641-49-6 ]
[ 1365884-96-3 ]

Reference： [1]Patent: US8138168,2012,B1

47
[ 641-49-6 ]
(R)-3-amino-1((R)-3-(4-methoxy-1-(3-methoxypropyl)-1H-benzokflimidazol-2-yl)piperidin-1-yl)-4-(naphthalen-2-yl)butari-1-one trifluoroacetate [ No CAS ]

Reference： [1]Patent: US8138168,2012,B1

48
[ 199175-10-5 ]
[ 641-49-6 ]
[ 1301189-11-6 ]