[ CAS No. 84539-22-0 ] {[proInfo.proName]}

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Quality Control of [ 84539-22-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 84539-22-0 ]

SDS Specification

Alternatived Products of [ 84539-22-0 ]

Product Details of [ 84539-22-0 ]

CAS No. :	84539-22-0	MDL No. :	MFCD00483251
Formula :	C₈H₁₀BrN₃O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	CEXBOCXKAGPRHD-UHFFFAOYSA-N
M.W :	244.09	Pubchem ID :	5144362
Synonyms :

Safety of [ 84539-22-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 84539-22-0 ]

* 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 [ 84539-22-0 ]
Downstream synthetic route of [ 84539-22-0 ]

[ 84539-22-0 ] Synthesis Path-Upstream 1~1

1
[ 84539-22-0 ]
[ 870521-33-8 ]

Reference： [1] Journal of Medicinal Chemistry, 2010, vol. 53, # 1, p. 77 - 105

[ 84539-22-0 ] Synthesis Path-Downstream 1~8

1
[ 57356-66-8 ]
[ 84539-22-0 ]

Yield	Reaction Conditions	Operation in experiment
89%	With bromine; In dichloromethane; at 20℃; for 1h;	General procedure: To a solution of compound 6a (0.36 mmol) in CH2Cl2 (25 mL), Br2 (22 μL, 0.43 mmol) was added, the reaction mixture was stirred at room temperature for 1 h and then treated with aqueous Na2CO3 for 2 h. The organic layer was separated, the solvent was removed in vacuo and the residue was recrystallizes from hexane.

Reference： [1]Journal of Organic Chemistry,1983,vol. 48,p. 1064 - 1069
[2]Russian Chemical Bulletin,2014,vol. 63,p. 1350 - 1358
Izv. Akad. Nauk, Ser. Khim.,2014,p. 1350 - 1358
[3]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1586 - 1605

2
[ 4318-42-7 ]
[ 84539-22-0 ]
Mo(CO)6 [ No CAS ]
(4-isopropyl-piperazin-1-yl)-(2-morpholin-4-yl-pyrimidin-5-yl)-methanone [ No CAS ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 2339 - 2343

3
[ 87120-72-7 ]
[ 84539-22-0 ]
[ 1010827-24-3 ]

Yield	Reaction Conditions	Operation in experiment
2%	With potassium tert-butylate;tetrakis(triphenylphosphine) palladium(0); XPhos; In toluene; at 100℃; for 16h;	Step 1: 4-(2-Morpholin-4-yl-pyrimidin-5-ylamino)-piperidine-1-carboxylic acid tert-butyl ester To a degassed solution of 4-(5-bromo-pyrimidin-2-yl)-morpholine (4.70 g, 19.26 mmol, 1.0 equiv; commercially available) and 4-amino-piperidine-1-carboxylic acid tert-butyl ester (4.63 g, 23.11 mmol, 1.2 equiv; commercially available) in toluene (40 mL) was added KOtert-Bu (5.40 g, 48.15 mmol, 2.5 equiv), dicyclohexyl-(2',4',6'-triisopropyl-biphenyl-2-yl)-phosphane (0.18 g, 0.39 mmol, 0.02 equiv; X-Phos ligand [CAS RN 564483-18-7]; commercially available from Strem Chemicals, USA) and tris(dibenzylideneacetone)dipalladium(0) (1.60 g, 1.54 mmol, 0.08 equiv). The reaction mixture was stirred under nitrogen at 100 C. for 16 h, cooled to rt, filtered and the filtrate concentrated by evaporation under reduced pressure. The crude material was purified with silica column chromatography eluding with a gradient of heptane/ethyl acetate (3:2→2:3) to provide 0.14 g (2%) of the title compound in 90% purity according to 1H NMR. 1H NMR (360 MHz, DMSO): δ 1.11-1.25 (m, 2H), 1.39 (s, 9H), 1.84 (d, J=14.1 Hz, 2H), 2.88 (br s, 2H), 3.30 (br s, 1H), 3.46 (t, J=5.0 Hz, 4H), 3.64 (t, J=4.1 Hz, 4H), 3.84 (d, J=12.7 Hz, 2H), 5.03 (d, J=8.6 Hz, 1H), 7.96 (s, 2H). MS (ESI): 364.3 [M+H]+.

Reference： [1]Patent: US2008/64697,2008,A1 .Location in patent: Page/Page column 27

4
[ 84539-22-0 ]
[ 1066-54-2 ]
[ 926009-59-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1586 - 1605

5
[ 84539-22-0 ]
[ 926009-60-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1586 - 1605

6
[ 84539-22-0 ]
[ 926009-39-4 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1586 - 1605

7
[ 84539-22-0 ]
C₂₀H₁₇N₆ClO [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1586 - 1605

8
[ 84539-22-0 ]
[ 73183-34-3 ]
[ 957198-30-0 ]

Yield	Reaction Conditions	Operation in experiment
88%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 90.0℃;Inert atmosphere;	A mixture of 4- (5-bromopyrimidin-2-yl) morpholine (2.01 g, 8.23 mmol) , bis (pinacolato) diboron (3.8 g, 15 mmol) , potassium acetate (2.5 g, 25 mmol) and Pd (dppf) Cl2(0.61 g, 0.83 mmol) in 1, 4-dioxane (30 mL) was stirred at 90 under N2overnight. The reaction mixture was cooled to rt and diluted with water (20 mL) . The resulting mixture was extracted with DCM (30 mL × 3) . The combined organic layers were dried over anhydrous Na2SO4and concentrated in vacuo. The residue was purified by silica gel column chromatography eluted with PE/EtOAc (v/v) 7/3 to give a white solid product (0.4 g, 88) .[1817]MS (ESI, pos. ion) m/z: 292.0 [M+1]+

Reference： [1]Patent: WO2016/615,2016,A1 .Location in patent: Paragraph 00730

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Isomers

Technical Information

• Alkyl Halide Occurrence • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Dihalides • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling

Historical Records

Related Functional Groups of
[ 84539-22-0 ]

Bromides

[ 886365-79-3 ]

5-Bromo-2-(2-methoxyethylamino)pyrimidine

Similarity: 0.88

[ 849021-42-7 ]

2-(4-(5-Bromopyrimidin-2-yl)piperazin-1-yl)ethanol

Similarity: 0.85

[ 1187386-42-0 ]

2-((5-Bromopyrimidin-2-yl)amino)ethanol

Similarity: 0.82

[ 663194-10-3 ]

4-(4-Bromopyrimidin-2-yl)morpholine

Similarity: 0.81

[ 433684-23-2 ]

5-Bromo-N,N-diethylpyrimidin-2-amine

Similarity: 0.80

Related Parent Nucleus of
[ 84539-22-0 ]

Morpholines

[ 57356-66-8 ]

4-(Pyrimidin-2-yl)morpholine

Similarity: 0.86

[ 663194-10-3 ]

4-(4-Bromopyrimidin-2-yl)morpholine

Similarity: 0.81

Pyrimidines

[ 886365-79-3 ]

5-Bromo-2-(2-methoxyethylamino)pyrimidine

Similarity: 0.88

[ 57356-66-8 ]

4-(Pyrimidin-2-yl)morpholine

Similarity: 0.86

[ 849021-42-7 ]

2-(4-(5-Bromopyrimidin-2-yl)piperazin-1-yl)ethanol

Similarity: 0.85

[ 1187386-42-0 ]

2-((5-Bromopyrimidin-2-yl)amino)ethanol

Similarity: 0.82

[ 663194-10-3 ]

4-(4-Bromopyrimidin-2-yl)morpholine

Similarity: 0.81

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[ CAS No. 84539-22-0 ] {[proInfo.proName]}

Quality Control of [ 84539-22-0 ]

Related Doc. of [ 84539-22-0 ]

Product Details of [ 84539-22-0 ]

Safety of [ 84539-22-0 ]

Application In Synthesis of [ 84539-22-0 ]

[ 84539-22-0 ] Synthesis Path-Upstream 1~1

[ 84539-22-0 ] Synthesis Path-Downstream 1~8

Technical Information

Related Functional Groups of [ 84539-22-0 ]

Bromides

Related Parent Nucleus of [ 84539-22-0 ]

Morpholines

Pyrimidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 84539-22-0 ]

Related Parent Nucleus of
[ 84539-22-0 ]