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[ CAS No. 306768-12-7 ] {[proInfo.proName]}

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Chemical Structure| 306768-12-7
Chemical Structure| 306768-12-7
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CAS No. :306768-12-7 MDL No. :MFCD22419008
Formula : C12H16INO2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 333.17 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 306768-12-7 ]

* 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.

  • Downstream synthetic route of [ 306768-12-7 ]

[ 306768-12-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 24424-99-5 ]
  • [ 60577-34-6 ]
  • [ 306768-12-7 ]
Reference： [1]New Journal of Chemistry,2006,vol. 30,p. 1725 - 1730
[2]Organic and Biomolecular Chemistry,2017,vol. 15,p. 2246 - 2252
  • 2
  • [ 73183-34-3 ]
  • [ 306768-12-7 ]
  • [ 916587-44-5 ]
YieldReaction ConditionsOperation in experiment
63% With potassium acetate In dimethyl sulfoxide at 80℃; for 3.5h;
63% With CH3COOK; PdCl2(Fe(C5H4P(C6H5)2)2)*CH2Cl2 In dimethyl sulfoxide (N2); addn. of soln. of carbamic acid deriv. in DMSO to mixture of boroncompd., palladium compd. and potassium acetate, stirring at 80°C for 3.5 h; cooling to room temp., addn. of ethyl acetate, washing with water, drying with MgSO4, concn., chromy. (silica gel, hexanes/ethyl acetate (8:1)),NMR;
Reference： [1]Lin, Chen; Drueckhammer, Dale G. [New Journal of Chemistry, 2006, vol. 30, # 12, p. 1725 - 1730]
[2]Lin, Chen; Drueckhammer, Dale G. [New Journal of Chemistry, 2006, vol. 30, # 12, p. 1725 - 1730]
  • 3
  • [ 159217-89-7 ]
  • [ 74-88-4 ]
  • [ 306768-12-7 ]
YieldReaction ConditionsOperation in experiment
85% With sodium hydride In tetrahydrofuran at 0 - 20℃; for 6h;
75% Stage #1: N-Boc-4-iodoaniline With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5h; Stage #2: methyl iodide In N,N-dimethyl-formamide; mineral oil at 0 - 25℃; for 2h; 1 Step 1 - Tert-butyl N-[4-[1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]phenyl]-N-methylcarbamate To a solution of tert-butyl N-(4-iodophenyl)carbamate (1.00 g, 3.13 mmol, CASNo. 159217-89-7) in DMF (10 mL) was added NaH (376 mg, 9.40 mmol, 60% dispersion in mineral oil) at 0 °C stirred for 30 mins, and CH3I (2.22 g, 15.7 mmol) was added. Then the mixture was stirred at 25 °C for 2 hours. On completion, the reaction mixture was poured into the H2O (10 mL), then extracted with EtOAc (6.0 mL x 3). The organic layer was separated, dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to give the residue. The residue was purified by column chromatography (SiO2, Petroleum ether/Ethyl acetate = 10/1 to 2/3) to give the title compound (840 mg, 75% yield) as a white solid. LC-MS (ESI+) m/z 278.2 (M+H-56)+.
75% Stage #1: N-Boc-4-iodoaniline With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5h; Stage #2: methyl iodide In N,N-dimethyl-formamide; mineral oil at 0 - 25℃; for 2h; 1 Step 1 - Tert-butyl N-[4-[1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]phenyl]-N-methylcarbamate To a solution of tert-butyl N-(4-iodophenyl)carbamate (1.00 g, 3.13 mmol, CASNo. 159217-89-7) in DMF (10 mL) was added NaH (376 mg, 9.40 mmol, 60% dispersion in mineral oil) at 0 °C stirred for 30 mins, and CH3I (2.22 g, 15.7 mmol) was added. Then the mixture was stirred at 25 °C for 2 hours. On completion, the reaction mixture was poured into the H2O (10 mL), then extracted with EtOAc (6.0 mL x 3). The organic layer was separated, dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to give the residue. The residue was purified by column chromatography (SiO2, Petroleum ether/Ethyl acetate = 10/1 to 2/3) to give the title compound (840 mg, 75% yield) as a white solid. LC-MS (ESI+) m/z 278.2 (M+H-56)+.
Reference： [1]Cho, Sung Jin; Elbatrawy, Ahmed A.; Han, Ye Ri; Jeon, Hui-Jeon; Jeon, Yong Hyun; Kang, Kyung-Ku; Kim, Dong-Su; Kim, Kil Soo; Lee, Da Sol; Lee, Sang Bong; Lee, Sijoon; Nam, Ghilsoo; Sung, Soo-Eun [Journal of Materials Chemistry B, 2021, vol. 9, # 24, p. 4857 - 4862]
[2]Current Patent Assignee: KYMERA THERAPEUTICS INC - WO2021/188948, 2021, A1 Location in patent: Paragraph 001860; 001861-001862
[3]Current Patent Assignee: KYMERA THERAPEUTICS INC - WO2021/188948, 2021, A1 Location in patent: Paragraph 001860; 001861-001862

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