DL-cysteine → HCID 58329592, 화합물

HRID 1964106

반응식

HRID 1964106 반응식
[C:1]([C:3]1[CH:4]=[C:5]([CH:28]=[CH:29][C:30]=1[CH:31]1[CH2:36][CH2:35][CH2:34][CH2:33][CH2:32]1)[CH2:6][O:7][C:8]1[CH:16]=[CH:15][C:14]2[N:13]3[CH2:17][CH2:18][CH:19]([CH2:20][C:21]([O:23]C(C)(C)C)=[O:22])[C:12]3=[CH:11][C:10]=2[CH:9]=1)#[N:2].NC(C(O)=O)CS>FC(F)(F)C(O)=O>[C:1]([C:3]1[CH:4]=[C:5]([CH:28]=[CH:29][C:30]=1[CH:31]1[CH2:36][CH2:35][CH2:34][CH2:33][CH2:32]1)[CH2:6][O:7][C:8]1[CH:16]=[CH:15][C:14]2[N:13]3[CH2:17][CH2:18][CH:19]([CH2:20][C:21]([OH:23])=[O:22])[C:12]3=[CH:11][C:10]=2[CH:9]=1)#[N:2]

참가 물질

4

반응물 2

HCID 594DL-cysteineHCID 67249284tert-Butyl 2-(7-(3-Cyano-4-cyclohexylbenzyloxy)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate

생성물 1

HCID 58329592HCID 58329592, 화합물수율 92%

시약·촉매·용매 1

HCID 6422Trifluoroacetic acid용매

실험 절차

To tert-butyl 2-(7-(3-cyano-4-cyclohexylbenzyloxy)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate (51.4 mg, 0.106 mmol) was added a solution of DL-cysteine (19.87 mg, 0.159 mmol) in trifluoroacetic acid (1 mL). The mixture was stirred at room temperature for 15 min. The reaction mixture was poured into an ice water to form a solid. The solid was filtered and washed with water to provide the title compound as an off-white solid (41.8 mg). LCMS m/z=429.6 [M+H]+; 1H NMR (400 MHz, DMSO-d6) δ ppm 1.19-1.31 (m, 1H), 1.32-1.55 (m, 4H), 1.69-1.75 (m, 1H), 1.75-1.85 (m, 4H), 2.14-2.25 (m, 1H), 2.56 (dd, J=12.00, 8.00 Hz, 1H), 2.67 (dd, J=12.00, 8.00 Hz, 1H), 2.71-2.78 (m, 1H), 2.79-2.90 (m, 1H), 3.57 (t, J=7.39 Hz, 1H), 3.87-3.99 (m, 1H), 4.02-4.16 (m, 1H), 5.08 (s, 2H), 6.00 (s, 1H), 6.76 (dd, J=8.72, 2.40 Hz, 1H), 7.05 (d, J=2.40 Hz, 1H), 7.18 (d, J=8.72 Hz, 1H), 7.51 (d, J=8.21 Hz, 1H), 7.72 (dd, J=8.21, 1.64 Hz, 1H), 7.81 (d, J=1.52 Hz, 1H), 12.26 (bs, 1H).

후처리

  1. customto form a solid
  2. filtrationThe solid was filtered
  3. washwashed with water

출처 및 근거

ORD 기록
ord-c94938f02ec84b69bf1fa1fe3a8ed65d
출처 데이터셋
uspto-grants-2013_04
특허 번호
US08415484B2

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