참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | 3-Benzyloxy-phenylboronic acid | HCID 2734313 | — |
| 반응물 | methyl (E)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate | HCID 90357412 | — |
| 시약 | Potassium Phosphate, Tribasic | HCID 62657 | — |
| 촉매 | HCID 178479801 | HCID 178479801 | — |
| 용매 | Water | HCID 962 | — |
| 용매 | Acetonitrile | HCID 6342 | — |
| 생성물 | 1,3,5-Trimethoxybenzene | HCID 69301 | — |
| 생성물 | 3-Benzyloxy-phenylboronic acid | HCID 2734313 | — |
| 생성물 | methyl (E)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate | HCID 90357412 | — |
| 생성물 | methyl (E)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoate | HCID 90357628 | — |
| 생성물 | (Z)-methyl 3-(3-(benzyloxy)phenyl)-3-cyclopropyl-2-methylacrylate | HCID 90357629 | — |
| 내부 표준 | 1,3,5-Trimethoxybenzene | HCID 69301 | — |
반응 단계
To a 4 ml reaction vial equipped with a magnetic
tumble stir disc under N2 atmosphere was charged (E)-methyl 3-cyclopropyl-2-methyl-3-
(tosyloxy)acrylate 3-(E) (40.0 mg, 0.129 mmol), (3-(benzyloxy)phenyl)boronic acid 4 (32.3 mg,
0.142 mmol), palladium precatalyst 5 (5.96 mg, 6.44 µmol) and 1,3,5-trimethoxybenzene (2.17
mg, 0.013 mmol). ACN (1000 µl) and water (10 µl) were added and the mixture agitated to
dissolve all solids. To a 40 ml vial was charged K3PO4 (2.12 g, 10.0 mmol) and water to dilute to
10 ml. The resulting 1 M aqueous K3PO4 solution was then sparged with N2 gas for 30 min in
preparation for automated dispensing (387 µl, 0.387 mmol). Finally, to a 96-well sample dilution
plate was charged 400 µl of a 9:1 mixture of acetonitrile and aqueous pH 3.5 ammonium formate
buffer.
출처 및 근거
| DOI | 10.1039/c9re00086k |
|---|
| 출처 데이터셋 | Development of an automated kinetic profiling system with online HPLC for reaction optimization |
|---|
| ORD ID | ord-6837b60af0374cd5bbcf6f4740445a5e |
|---|
| 출처 메모 | Development of an automated kinetic profiling system with online HPLC for reaction optimization |
|---|
