Benzoic Acid → HCID 57611867, 화합물

HRID 1919893

반응식

HRID 1919893 반응식
[CH:1]([CH2:3][C:4]1[CH:13]=[CH:12][C:7]([C:8]([O:10][CH3:11])=[O:9])=[CH:6][CH:5]=1)=O.[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([N+:21]#[C-:22])=[CH:17][CH:16]=1.[CH3:23][O:24][C:25]1[CH:30]=[C:29]([O:31][CH3:32])[CH:28]=[CH:27][C:26]=1[CH2:33][NH2:34].[C:35](O)(=[O:42])[C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1.C([OH:49])C(F)(F)F>CO>[C:35]([N:34]([CH2:33][C:26]1[CH:27]=[CH:28][C:29]([O:31][CH3:32])=[CH:30][C:25]=1[O:24][CH3:23])[CH:1]([C:22]([NH:21][C:18]1[CH:19]=[CH:20][C:15]([Cl:14])=[CH:16][CH:17]=1)=[O:49])[CH2:3][C:4]1[CH:13]=[CH:12][C:7]([C:8]([O:10][CH3:11])=[O:9])=[CH:6][CH:5]=1)(=[O:42])[C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1

참가 물질

7

반응물 5

HCID 243Benzoic AcidHCID 64092,2,2-TrifluoroethanolHCID 746704-Chlorophenyl isocyanideHCID 5972502,4-DimethoxybenzylamineHCID 13844675Methyl 4-(2-oxoethyl)benzoate

생성물 1

HCID 57611867HCID 57611867, 화합물

시약·촉매·용매 1

HCID 887Methanol용매

반응 조건

온도
50 °C

실험 절차

Methyl 4-formylmethylbenzoate (56.3 mg, 0.316 mmol, 4-chlorophenyl isocyanide (43.5 mg, 0.316 mmol), 1-(2,4-dimethoxyphenyl)methanamine (56.9 μL, 0.379 mmol) and benzoic acid (38.6 mg, 0.316 mmol) were dissolved in 100 μL of trifluoroethanol and heated at 50° C. for 2 hours. The reaction mixture was diluted with 2 mL of methanol and purified by reversed phase HPLC to afford the desired product. MS cal'd 587.2 (MH+), exp 587.2 (MH+).

후처리

  1. custompurified by reversed phase HPLC

출처 및 근거

ORD 기록
ord-ac5957fb35274ce48a08668e57be7c1a
출처 데이터셋
uspto-grants-2012_05
특허 번호
US08168658B2

연결된 노트

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