[ CAS No. 471-29-4 ] {[proInfo.proName]}

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COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 471-29-4 ]

Product Details of [ 471-29-4 ]

CAS No. :	471-29-4	MDL No. :	MFCD01724039
Formula :	C₂H₇N₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	73.10	Pubchem ID :	-
Synonyms :

Safety of [ 471-29-4 ]

Signal Word:	Class:	N/A
Precautionary Statements:	UN#:	N/A
Hazard Statements:	Packing Group:	N/A

Application In Synthesis of [ 471-29-4 ]

* 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 [ 471-29-4 ]
Downstream synthetic route of [ 471-29-4 ]

[ 471-29-4 ] Synthesis Path-Upstream 1~2

1
[ 471-29-4 ]
[ 615-42-9 ]
[ 17228-38-5 ]

Reference： [1] Journal of Organic Chemistry, 2009, vol. 74, # 15, p. 5742 - 5745

2
[ 1674-62-0 ]
[ 420-04-2 ]
[ 471-29-4 ]
[ 50-01-1 ]
[ 4674-68-4 ]

Reference： [1] Nippon Kagaku Kaishi, 1944, vol. 65, p. 271,279[2] Chem.Abstr., 1947, p. 3763

Yield	Reaction Conditions	Operation in experiment
	In isopropyl alcohol

Yield	Reaction Conditions	Operation in experiment
62%	Stage #1: tert-Butoxybis(dimethylamino)methane; 1-(5-bromo-1-tosyl-1H-indol-3-yl)ethan-1-one at 105℃; for 3h; Stage #2: 1-methylguanidine With sodium methylate In methanol; butan-1-ol at 20 - 95℃; Stage #3: With hydrogenchloride In water	A mixture of l-(5-bromo-l- tosyl-lH-indol-3-yl)ethanone (A.176) [Fresneda, P. M., P. Molina, et al. (2000). Tetrahedron Lett. 41(24): 4777-4780] (5.0 g,12.8 mmol) and t-BuOCH(NMe2)2 (5.3 mL, 25.6 mmol) was heated at 105 0C for 3 hrs. At room temperature, n-BuOH (15 mL), 1 -methylguanidine ( HCl salt, 2.1 g, 19.2 mmol) and MeONa ( 5.33 M in methanol, 7.2 mL) were added sequentially to the mixture. The resultant mixture was heated at 95 °C for 16 hrs. After cooling to room temperature, the resultant mixture was concentrated, and the residue was diluted with water and neutralized with HCl (IM) to pH 7. The mixture was concentrated and dissolved in methanol. After filtration to remove insoluble solid, the filtrates were collected and concentrated. Purification of the residue by flash chromatography over silica gel, using 9.5:0.5 dichloromethane-methanol, gave 4-(5-bromo-lH-indol-3-yl)-N-methylpyrimidin-2-amine (A.177) (2.4 g, 62%): 1H NMR (DMSO- d6) δ 12.30(s, 1 H), 8.78 (s, 1 H), 8.60 (s, 1 H ), 8.17 (d, J= 6.0 Hz, 1 H ), 7.48(br, 1 H), 7.38 (d, J- 8.5 Hz, 1 H), 7.25(d, J= 6.0 Hz, 1 H), 7.12 (d, J= 8.5 Hz, 1 H), 3.01(br, 3 H); ms 303.1 (M+H+).

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[ CAS No. 471-29-4 ] {[proInfo.proName]}

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[ 471-29-4 ] Synthesis Path-Upstream 1~2

[ 471-29-4 ] Synthesis Path-Downstream 1~17

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