HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2425102Generated: October 28, 2026
Benzene → 4-Chloro-2-(3-chloropropylamino)-6-methyl-10,10dioxo-10,11-dihydro-5-oxa-10lambda*6*-thia-dibenzo[a,d]-cycloheptene-8-carboxylic acid methyl ester
https://huagongshe.com/reaction/2425102
Participants
| Role | Name | HCID | Charge |
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| Reactant | Benzene | HCID 241 | — |
| Reactant | 2-Chloropropionic acid | HCID 11734 | — |
| Reactant | 2-Amino-4-chloro-6-methyl-10,10-dioxo-10,11-dihydro-5-oxa-10lambda *6*-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester | HCID 11559690 | — |
| Reactant | CID 131720715 | HCID 131720715 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 4-Chloro-2-(3-chloropropylamino)-6-methyl-10,10dioxo-10,11-dihydro-5-oxa-10lambda*6*-thia-dibenzo[a,d]-cycloheptene-8-carboxylic acid methyl ester | HCID 131728529 | — |
Reaction Steps
Powdered sodium-borohydride (0.93 g, 24 mmol) was added in portions at 0° C., to a solution of chloropropionic acid (5.32 g, 49 mmol) in THF (13 mL), and benzene (210 mL). Reaction mixture was warmed to room temperature and stirred for 1 h, and compound of Example 1 (3.0 g, 8.17 mmol) was added. Reaction mixture was refluxed for 3 h. Reaction mixture was cooled and quenched using sodium bicarbonate solution, and extracted with ethylacetate. Organic layer was washed with water (100 mL) and brine (50 mL). The crude product obtained was purified by column chromatography (silica gel, ethylacetate/pet. ether) to obtain the title compound. Yield: 3.7 g (99%); 1H NMR (DMSO-d6, 300 MHz): δ 1.96 (q, 2H, CH2), 2.62 (s, 3H, CH3), 3.11 (q, 2H, CH2), 3.72 (t, 2H, CH2), 3.85 (s, 3H, OCH3), 5.12 (s, 2H, CH2), 6.29 (s, 1H, Ar), 6.31 (s, 1H, Ar), 8.07 (s, 1H, Ar), 8.13 (s, 1H, Ar); MS: m/e (EI) 443 (M+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07964631B2 |
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| Source dataset | uspto-grants-2011_06 |
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| ORD ID | ord-f8b1f98a742b41d2a753482bf750e4ab |
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| Source note | uspto-grants-2011_06 |
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