HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-iodo-benzoic acid → (S)-2-[2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-iodo-benzoylamino]-3-(3,4-dichloro-phenyl)-propionic acid methyl ester
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-iodo-benzoic acid | HCID 16090664 | — |
| Reactant | Methyl 2-amino-3-(3,4-dichlorophenyl)propanoate hydrochloride | HCID 68772138 | — |
| Product | (S)-2-[2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-iodo-benzoylamino]-3-(3,4-dichloro-phenyl)-propionic acid methyl ester | HCID 58999935 | — |
Reaction Steps
The title compound was prepared from 2-amino-3-(3,4-dichloro-phenyl)-propionic acid methyl ester hydrochloride (prepared as in Example 2, Part A) and 2-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-iodo-benzoic acid as in Example 1, Part C. HPLC: RT=10.50 min. MS (ESI−): mass calcd. for C22H15Cl3N4O5S2, 691.35; m/z found, 689/691 [M−H]−. 1H NMR (400 MHz, CDCl3): 11.34 (s, 1H), 8.36 (dd, J=7.1, 0.9, 1H), 8.23 (dd, J=8.8, 0.9, 1H), 8.08 (d, J=1.5, 1H), 7.73 (dd, J=8.8, 7.1, 1H), 7.36-7.30 (m, 2H), 7.14 (d, J=2.0, 1H), 6.95 (d, J=8.3, 1H), 6.90 (dd, J=8.2, 2.0, 1H), 6.53 (d, J=7.0, 1H), 4.94 (q, J=5.6, 1H), 3.82 (s, 3H), 3.25-3.10 (m, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07855292B2 |
| Source dataset | uspto-grants-2010_12 |
| ORD ID | ord-0ba197d931e1428ba3f707041e427981 |
| Source note | uspto-grants-2010_12 |