6627-22-1|Methyl 6-chloropyrimidine-4-carboxylate| Ambeed

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Quality Control of [ 6627-22-1 ] Purity: 97% SDS Specification

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Product Details of [ 6627-22-1 ]

CAS No. :	6627-22-1
Formula :	C₆H₅ClN₂O₂
M.W :	172.57
SMILES Code :	O=C(C1=NC=NC(Cl)=C1)OC
MDL No. :	MFCD08689467
InChI Key :	IAEUEOUJKNGPMO-UHFFFAOYSA-N
Pubchem ID :	245927

Safety of [ 6627-22-1 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H332-H335
Precautionary Statements:	P261-P280-P305+P351+P338

Computational Chemistry of [ 6627-22-1 ] Show Less

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	0.0
Molar Refractivity	38.32
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	52.08 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	1.62
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	1.35
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	0.92
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	0.15
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	1.38
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	1.08

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-2.03
Solubility	1.6 mg/ml ; 0.00929 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-2.05
Solubility	1.55 mg/ml ; 0.009 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-2.34
Solubility	0.789 mg/ml ; 0.00457 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	Yes
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	No
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	No
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	No
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	No
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	No
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	No
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-6.39 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	1.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.55

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	0.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<1.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	1.76

Application In Synthesis of [ 6627-22-1 ]

* 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.

Downstream synthetic route of [ 6627-22-1 ]

[ 6627-22-1 ] Synthesis Path-Downstream 1~35

2
[ 19962-06-2 ]
[ 6627-22-1 ]
[ 827042-49-9 ]

Yield	Reaction Conditions	Operation in experiment
93%	With caesium carbonate; In DMF (N,N-dimethyl-formamide); at 20℃; for 5h;	868 mg (4.763 MMOL) 6-CHLORO-PYRIMIDINE-4-CARBOXYLIC acid methyl ester are suspended in 10 ml of DMF together with 1 g (4.763 MMOL) (3- Hydroxy-phenyl)-carbamic acid, ter-butyl ester (S. J. Gould, R. L. Eisenberg, J. Org. Chem. 56 (23), 1991, 6666) and 1.54 g (4. 763 MMOL) cesium carbonate and stirred for 5 H at room temperature. The reaction mixture is poured onto ice and extracted several times with ethyl acetate. The combined organic phases are washed with water, dried over NA2SO4, filtered and evaporated. Yield : 1.58 g (93 %) brown oil

References: [1]Patent: WO2005/4863,2005,A1 .Location in patent: Page/Page column 133.

3
[ 1750-42-1 ]
[ 6627-22-1 ]
[ 1097250-90-2 ]

Yield	Reaction Conditions	Operation in experiment
40%	With sodium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene;tris-(dibenzylideneacetone)dipalladium(0); In water; toluene; at 100℃; for 3h;	To compound 12.1 (0.16 g, 0.91 mmol, 1.0 equiv), isoxazol-3-ylamine (92 mg, 1.1 mmol, 1.2 equiv), tris(dibenzylideneacetone)-dipalladium (21 mg, 0.023 mmol, 0.025 equiv), xantphos (39 mg, 0.068 mmol, 0.075 equiv), and Na2CO3 (133 mg, 1.4 mmol, 1.4 equiv) in toluene (3 mL) was added H2O (16 μL, 0.91 mmol, 1.0 equiv). The reaction mixture was heated to 100 C. and stirred for 3 hr, whereupon it was cooled to RT. The mixture was filtered through Celite and adsorbed onto SiO2 gel. Purification by flash column chromatography (50-75-100% EtOAc/hexanes) afforded 12.2 (0.79 mg, 40%). LCMS: m/z: 221 [M+1]+.

References: [1]Patent: US2009/36419,2009,A1 .Location in patent: Page/Page column 37.

4
[ 6627-22-1 ]
[ 62-53-3 ]
methyl 6-(phenylamino)pyrimidine-4-carboxylate hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
86%	With hydrogenchloride; In water; isopropyl alcohol; at 95℃; for 0.25h;microwave irradiation;	To a solution of methyl β-chloropyrimidine^-carboxylate (100 mg, 0.58 mmol) in 2-propanol (1 mL) was added aniline (53 μL, 0.58 mmol), followed by 32% HClaq (100 μL). The mixture was heated with stirring, under microwave activation, at 950C for 15 minutes, and the resulting precipitate filtered off and washed with diethyl ether to give 115 mg (86%) of the title compound. 1H NMR (d6-DMSO): 10.26 (IH, s), 8.75 (IH, s), 7.70 (2H, d, J = 7.5 Hz), 7.36-7.45 (3H, m), 7.11 (IH, t, J = 7.5 Hz), 3.90 (3H, s).

References: [1]Patent: WO2010/20432,2010,A2 .Location in patent: Page/Page column 89.

5
[ 123-30-8 ]
[ 6627-22-1 ]
[ 1208980-42-0 ]

Yield	Reaction Conditions	Operation in experiment
50%	With hydrogenchloride; In water; isopropyl alcohol; at 95℃; for 0.25h;microwave irradiation;	A solution of methyl -chloropyrimidine^-carboxylate (0.15 g, 0.87 mmol), 4- aminophenol (0.095 g, 0.87 mmol) and concentrated hydrochloric acid (0.15 mL) in 2- propanol (1.5 mL) was heated at 95C for 15 minutes under microwave activation, after 30 seconds pre-stirring. The reaction mixture was cooled to room temperature, filtered and the filter cake washed with diethyl ether to give 106 mg (50%) of the title compound. 1H NMR (dβ-DMSO): 10.52 (IH, br), 8.69 (IH, s), 7.26-7.48 (3H, m), 6.80 (2H, d, J = 8.8Hz), 3.90 (3H, s).

References: [1]Patent: WO2010/20432,2010,A2 .Location in patent: Page/Page column 90.

6
[ 509083-73-2 ]
[ 6627-22-1 ]
[ 1224465-32-0 ]

References: [1]Journal of Medicinal Chemistry,2010,vol. 53,p. 3814 - 3830.

7
[ 1426321-08-5 ]
[ 6627-22-1 ]
[ 1426321-09-6 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium phosphate; palladium bis[bis(diphenylphosphino)ferrocene] dichloride; In N,N-dimethyl-formamide; at 60℃; for 16h;Inert atmosphere;	Tripotassium phosphate (1.4eq) was added in one portion to a stirred solution of, 7-chloro-5-(4,4,5,5-tetramethyl- [l,3,2]dioxaborolan-2-yl)-benzofuran (leq) and <strong>[6627-22-1]methyl 6-chloropyrimidine-4-carboxylate</strong> (2eq) in DMF (4vol). The mixture was degassed with nitrogen for 5 minutes, after which time Pd(dppf)2C12 (0.2eq) was added in one portion, the mixture was then heated to 60oC and stirred at this temperature for 16 hours under a nitrogen atmosphere. After this time the reaction mixture was cooled to room temperature and partitioned between ethyl acetate (20vol) and water (lOvol). The organic layer was separated, washed sequentially with water (lOvol) then brine (lOvol) before being dried (MgS04), filtered and concentrated. The resulting residue was purified purified using a Biotage Isolera (50g silica column eluting with 100% heptane to 20% ethyl acetate / 50% heptane) to afford the desired compound as a white solid.

References: [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 1159 - 1183.
[2]Patent: WO2013/33085,2013,A1 .Location in patent: Paragraph 00218.

8
[ 1426320-84-4 ]
[ 6627-22-1 ]
[ 1426320-85-5 ]

Yield	Reaction Conditions	Operation in experiment
65%	With potassium phosphate; palladium bis[bis(diphenylphosphino)ferrocene] dichloride; In N,N-dimethyl-formamide; at 60℃; for 16h;Inert atmosphere;	Tripotassium phosphate (1.03g,4.8mmol) was added in one portion to a stirred solution of [2-chloro-4-(tetramethyl- 1,3,2- dioxaborolan-2-yl)phenyl](cyclopropyl)methanol (l .Og, 3.2mmol) and ethyl 6- chloropyrimidine-4-carboxylate (0.73g, 3.89mmol) in DMF (20mL). The mixture was degassed with nitrogen for 5 minutes, after which time Pd(dppf)2C12 (0.13g, 0.16mmol) was added in one portion, the mixture was then heated to 60oC and stirred at this temperature for 16 hours under a nitrogen atmosphere. After this time the reaction mixture was cooled to room temperature and partitioned between ethyl acetate (lOOmL) and water (50mL). The organic layer was separated, washed sequentially with water (50mL) then brine (50mL) before being dried (MgS04), filtered and concentrated. The resulting red gum was purified by flash column chromatography (elution: 40%> EtOAc, 60%) Heptane) to give the desired compound (0.74g, 65%> yield) as a colourless oil. ?? (500 MHz, DMSO) 9.42 (d, J=1.10 Hz, 1 H) 8.57 (d, J=1.10 Hz, 1 H) 8.22 - 8.36 (m, 2 H) 7.79 (d, J=8.20 Hz, 1 H) 5.52 (br. s., 1 H) 4.72 (d, J=5.99 Hz, 1 H) 4.43 (q, J=7.09 Hz, 2 H) 1.38 (t, J=7.09 Hz, 3 H) 1.15 - 1.22 (m, 1 H) 0.29 - 0.53 (m, 4 H). Tr = 2.27 min m/z (ES+) (M+H+) 321.

References: [1]Patent: WO2013/33085,2013,A1 .Location in patent: Paragraph 00242.

9
[ 1426320-86-6 ]
[ 6627-22-1 ]
[ 1426320-87-7 ]

Yield	Reaction Conditions	Operation in experiment
0.1 g		To a degassed stirred solution of ethyl 6-chloropyrimidine-4-carboxylate (0.17 g, 0.9 mmol) and 2-chloro-4- (tetramethyl-l,3,2-dioxaborolan-2-yl)benzaldehyde (0.22 g, 0.81 mmol) in dioxane (2.5 mL) was added 2M K2C03 (1.25 mL). Pd(PPh3)4 (57 mg, 0.05 mmol) was then added and the reaction mixture was further degassed before heating to 90C under an atmosphere of nitrogen gas for 2 hours. After this time, the reaction mixture was cooled to room temperature and concentrated. Water (5 mL) was then added and the solid filtered, washed with water (2 mL), acetone (3 x 2 mL) and dried under vacuum. The solid was suspended in a mixture of EtOAc (30 mL) and IN HC1 (10 mL) and then heated to achieve partial solution. The cooled two-phase system was then sonicated to achieve full dissolution. The aqueous layer was re-extracted with EtOAc (10 mL); the combined organics were washed with brine (5 mL), dried (MgS04), filtered and concentrated to give the desired compound (0.1 g, 42%> yield (at) 85%> purity) as a beige solid. Tr = 1.58 min m/z (ES+) (M+H+) 263/265.

References: [1]Patent: WO2013/33085,2013,A1 .Location in patent: Paragraph 00247.

10
5-iodo-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine [ No CAS ]
[ 6627-22-1 ]
[ 1596337-13-1 ]

Yield	Reaction Conditions	Operation in experiment
19%		To a solution of 5-iodo-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine (Preparation 79, 2 g, 7.0 mmol) in THF (35 ml_) was added 'PrMgCI (4.18 ml_, 8.36 mmol, 2 M solution in diethyl ether) at 0C. The reaction was stirred at this temperature for 1 hour before the addition of a solution of <strong>[6627-22-1]methyl 6-chloropyrimidine-4-carboxylate</strong> (1 .51 g, 8.75 mmol) in THF (5 ml_). The reaction was warmed to room temperature and stirred for 18 hours. The reaction was quenched by the addition of saturated aqueous ammonium chloride solution and extracted into DCM thrice. The organic layers were combined, washed with brine and concentrated in vacuo. The residue was purified using silica gel column chromatography eluting with 10-60% EtOAc in heptane to afford a yellow solid that was triturated with heptane to afford the title compound as a white solid (436 mg, 19%). 1H NMR (400 MHz, CDCl3): δ ppm 1.66 (d, 6H), 5.20 (m, 1 H), 8.16 (d, 1 H), 9.02 (s, 1 H), 9.13 (s, 1 H), 9.20 (d, 1 H), 9.72 (s, 1 H). LCMS Rt = 1 .23 minutes MS m/z 302 [M+H]+

References: [1]Patent: WO2014/53967,2014,A1 .Location in patent: Page/Page column 120; 121.

11
[ 683242-93-5 ]
[ 6627-22-1 ]
[ 1590398-35-8 ]

Yield	Reaction Conditions	Operation in experiment
520 mg	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate; In 1,4-dioxane; water; at 100℃; for 2h;Inert atmosphere;	Methyl 6-(4-(trifluoromethyl)cyclohex- 1-enyl)pyrimidine-4-carboxylate. A mixture of 4,4,5,5- tetramethyl-2-[4-(trifluoromethyl)cyclohex- 1-en-i -yl] -1,3 ,2-dioxaborolane (2.00 g, 7.24 mmol, 1.00 equiv), methyl 6-chloropyrimidine-4-carboxylat (1.25 g, 7.27 mmol, 1.00 equiv), Pd(dppf)C12.CH2C12 (560 mg, 0.10 equiv), K2C03 (3.1 g, 3.00 equiv), water (4 mL) in i,4-dioxane (20 mL) was stuffed under nitrogen for 2 h at 100C and then allowed to cool to room temperature. The mixture was diluted with H20 (120 mL) and extracted with ethyl acetate (3x50 mL). The organic extracts were dried over anhydrous sodium sulfate and concentrated under reduced pressure. The residue was purified by flash chromatography on silica gel, eluting with ethyl acetate/petroleum ether (1:3) to afford the title compound (520 mg) as a yellow solid. MS-ESI: [M+H] 287.

References: [1]Patent: WO2014/49047,2014,A1 .Location in patent: Page/Page column 115; 116.

12
[ 6627-22-1 ]
[ 1590398-36-9 ]

References: [1]Patent: WO2014/49047,2014,A1 .

13
[ 6627-22-1 ]
[ 1590398-37-0 ]

References: [1]Patent: WO2014/49047,2014,A1 .

14
[ 6627-22-1 ]
[ 1590398-38-1 ]

References: [1]Patent: WO2014/49047,2014,A1 .

15
[ 6627-22-1 ]
[ 1590397-67-3 ]

References: [1]Patent: WO2014/49047,2014,A1 .

16
[ 7565-57-3 ]
[ 6627-22-1 ]
6-cyclohexylpyrimidine-4-carboxylic acid [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 1159 - 1183.

17
[ 7565-57-3 ]
[ 6627-22-1 ]
methyl 6-cyclohexylpyrimidine-4-carboxylate [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 1159 - 1183.

18
[ 6627-22-1 ]
2,4,6-trivinylcyclotriboroxane*pyridine complex [ No CAS ]
methyl 6-vinylpyrimidine-4-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
34%		Tetrakis-(triphenylphosphine)palladium(0) (0.40 g, 5 mol %) was added to a solution of <strong>[6627-22-1]methyl 6-chloropyrimidine-4-carboxylate</strong> (1.24 g) in DME (35 mL) and the solution left to stir at room temperature (20 min.). K2CO3 (1.11 g, 1.2 eq.), water (10 mL) and 2,4,6-trivinylcyclotriboroxane-pyridine complex (1.93 g, 1.2 eq.) were then added to the solution and the resultant mixture heated at reflux (24 hrs). The mixture was then cooled to room temperature and extracted with diethyl ether (200 mL) and the extract washed with water (30 mL). The diethyl ether extract was dried over MgSO4 and then diluted with hexane (200 mL). The solution was filtered through aluminium oxide (6 g) and the eluent concentrated in vacuo to give a yellow oil. The oil was then subjected to silica gel chromatography (10-100% EtOAc/Pet ether) followed by reverse phase (C18) chromatography (40% MeCN/water) to yield methyl 6-vinylpyrimidine-4-carboxylate as a white solid (0.40 g, 34% yield). 1H NMR, 270 MHz (CDCl3): 9.29 (d, 1H, H-2, J=1.1 Hz), 7.99 (d, 1H, H-5, J=1.1 Hz), dd, 1H, H-A, J=10.4 and 17.3 Hz), 6.61 (dd, 1H, H-C, J=1.0 and 17.3 Hz), 5.81 (dd, 1H, H-B, J=1.0 and 10.4 Hz), 4.02 (s, 3H, -CH3). 13C NMR, 67.5 MHz (CDCl3): 164.79 (2C), 159.22 (2C), 134.71, 124.92, 117.71, 53.52. ESI-MS Expected for molecular ion C8H8N2O2=164.0586. Found M+H=165.0664.

References: [1]Patent: US9212148,2015,B2 .Location in patent: Page/Page column 12.

19
3-(trifluoromethoxy)azetidine [ No CAS ]
[ 6627-22-1 ]
methyl 6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidine-4-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
300 mg	With triethylamine; In dimethyl sulfoxide; at 20℃; for 5h;	A mixture of <strong>[6627-22-1]methyl 6-chloropyrimidine-4-carboxylate</strong> (200 mg, 1.16 mmol, 1.00 equiv), 3- (trifluoromethoxy)azetidine hydrochloride (300 mg, 1.69 mmol, 1.50 equiv), DMSO (6 mL), and TEA (350 mg, 3.46 mmol, 3.00 equiv) was stirred for 5 h at room temperature. The resulting solution was diluted with ethyl acetate, washed with brine, dried over anhydrous sodium sulfate, and concentrated under vacuum. This resulted in the title compound (300 mg, 95%) as a brown solid.LCMS [M+H] 278.

References: [1]Patent: WO2016/128529,2016,A1 .Location in patent: Paragraph 0800; 0809; 0810.

20
[ 6299-87-2 ]
[ 6627-22-1 ]