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[ CAS No. 660830-63-7 ] {[proInfo.proName]}

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Chemical Structure| 660830-63-7
Chemical Structure| 660830-63-7
Structure of 660830-63-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 660830-63-7 ]

CAS No. :660830-63-7 MDL No. :MFCD13193280
Formula : C10H6BrNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :OTFHFFYMJNOJCX-UHFFFAOYSA-N
M.W : 252.06 Pubchem ID :21921426
Synonyms :

Safety of [ 660830-63-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 660830-63-7 ]

* 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 [ 660830-63-7 ]
  • Downstream synthetic route of [ 660830-63-7 ]

[ 660830-63-7 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 660830-62-6 ]
  • [ 660830-63-7 ]
YieldReaction ConditionsOperation in experiment
85% With lithium hydroxide; water In tetrahydrofuran; methanol at 0℃; for 0.5 h; To a solution of 4-bromophthalic acid (3.0 g, 12.24 [MMOL)] in 30 mL of THF was added a solution of borane-THF complex (1. OM) dropwise at 0 [°C.] The solution was warmed to rt and stirred for 3 h. The reaction mixture was quenched by addition of HCI (2N) at 0 [°C.] The product was extracted with ethyl acetate and washed with sat. [NACI,] dried over [NA2SC4,] and concentrated under reduced pressure to afford 2.8 g (100percent) of 4-bromo-2- hydroxymethylbenzyl alcohol as a [COLORLESS OIL.APOS;H] NMR [(CDCK)] 7.28 (m, 2 H), 7.26 (m, 1 H), 4.69 (s, 4 H), 2.80 (bs, [2 H).] To a solution of oxalyl chloride (2.37 mL, 4.607 mmol) in DCM (20 mL) was added dropwise DMSO (1.95 mL) [AT-78 °C.] The mixture was stirred at-78 °C for 30 min and a solution of the diol (1.00 g, 4.607 [MMOL)] was added dropwise. The reaction mixture was stirred for 2 hr and TEA (11.5 mL) was added. The reaction mixture was warmed to rt and water was added. The organic layer was separated and washed with sat. NaCl, dried over Na2SO4, and concentrated under reduced pressure to give [4-BROMO-BENZENE-1,] 2- dicarbaldehyde as a yellow oil (0.450 g, 46percent). A mixture of [4-BROMO-BENZENE-1,] [2-DICARBALDEHYDE] (0.450 g, 2.137 mmol), diethylamino malonate (0.452 g, 2.137 mmol), and sodium ethoxide (0.218 g, 3.20 [MMOL)] in anhydrous ethanol (15 mL) was refluxed for 4 hr. The solution was cooled to rt and concentrated under reduced pressure. The crude residue was purified by flash column chromatography (silica gel, 0. 5percent MeOH in [CHCI3)] to obtain 0.460 g (78percent) of the [7-BROMO-] isoquinoline-3-carboxylic acid ethyl ester which was [HYDROLYZED] according to general procedure C yielding the 0.350 g (85percent) of 7-bromo-isoquinoline-3-carboxylic acid as a white solid. LC/MS [(M/Z)] : 253 (M+1) [+.] [(2S)-AMINO-3-BIPHENYL-4YL-PROPIONIC] acid methyl ester (340 mg, 13.9 [MMOL)] was reacted with 7-bromo-isoquinoline-3-carboxylic acid (350 mg, 13.9 [MMOL)] as described in general procedure A. The resulting compound was hydrolyzed by following general procedure C yielding the title compound (132 mg, 81 percent) as a white solid
Reference: [1] Patent: WO2004/14844, 2004, A2, . Location in patent: Page 179; 185-186
[2] Patent: WO2018/15879, 2018, A1, . Location in patent: Page/Page column 85-86
  • 2
  • [ 6968-28-1 ]
  • [ 660830-63-7 ]
Reference: [1] Patent: WO2018/15879, 2018, A1,
  • 3
  • [ 171011-37-3 ]
  • [ 660830-63-7 ]
Reference: [1] Patent: WO2018/15879, 2018, A1,
  • 4
  • [ 13209-32-0 ]
  • [ 660830-63-7 ]
Reference: [1] Patent: WO2018/15879, 2018, A1,
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