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1,2-Dichloroethane → HCID 58504345、化合物

HRID 1941894
ノート
印刷プレビュー

反応式

HRID 1941894 の反応式
[NH2:1][C:2]1[N:6]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[N:5]=[CH:4][C:3]=1[C:13]([OH:15])=[O:14].O/[N:17]=[C:18](/[C:20]1[CH:34]=[CH:33][C:23]([CH2:24][N:25]2[CH2:28][CH:27]([C:29]([O:31][CH3:32])=[O:30])[CH2:26]2)=[CH:22][CH:21]=1)\[NH2:19].C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1.CCN(CC)CC>CN(C=O)C>[NH2:1][C:2]1[N:6]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[N:5]=[CH:4][C:3]=1[C:13]([O:15]/[N:17]=[C:18](/[C:20]1[CH:34]=[CH:33][C:23]([CH2:24][N:25]2[CH2:28][CH:27]([C:29]([O:31][CH3:32])=[O:30])[CH2:26]2)=[CH:22][CH:21]=1)\[NH2:19])=[O:14]
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 5

HCID 111,2-DichloroethaneHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 7468145-Amino-1-phenyl-1H-pyrazole-4-carboxylic acidHCID 58504342HCID 58504342、化合物

生成物 1

HCID 58504345HCID 58504345、化合物収率 52.2%

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

実験手順

A mixture of 5-amino-1-phenyl-1H-pyrazole-4-carboxylic acid (90 mg, 0.441 mmol), (Z)-methyl 1-(4-(N′-hydroxycarbamimidoyl)benzyl)azetidine-3-carboxylate (116 mg, 0.441 mmol), EDC (84 mg, 0.441 mmol) and HOBT (67.5 mg, 0.441 mmol) in DMF (1 mL) was stirred at RT for 1 hr. At this time, Et3N (0.061 mL, 0.441 mmol) was added and stirring was continued at RT for 3 days. The mixture was then heated to 50° C. for 10 minutes. The reaction mixture was partitioned between EtOAc (30 mL) and saturated sodium bicarbonate solution (30 mL). The organic layer was washed with saturated sodium bicarbonate solution (30 mL), water (30 mL) and brine (30 mL). After drying (MgSO4) and filtration, the organic layer was concentrated to afford (Z)-methyl 1-(4-(N′-(5-amino-1-phenyl-1H-pyrazole-4-carbonyloxy)carbamimidoyl)benzyl)azetidine-3-carboxylate (103 mg, 0.230 mmol) as a white solid. HPLC retention time=1.05 minutes (PHENOMENEX® Luna 4.6×30 mm S-5 ODS column) eluting with 10-90% aqueous methanol+0.1% TFA over a 2 minute gradient. MS:(M+H)=449.3.

後処理

  1. stirringstirring
  2. waitwas continued at RT for 3 days
  3. temperatureThe mixture was then heated to 50° C. for 10 minutes
  4. customThe reaction mixture was partitioned between EtOAc (30 mL) and saturated sodium bicarbonate solution (30 mL)
  5. washThe organic layer was washed with saturated sodium bicarbonate solution (30 mL), water (30 mL) and brine (30 mL)
  6. customAfter drying
  7. filtration(MgSO4) and filtration
  8. concentrationthe organic layer was concentrated

出典と根拠

ORDレコード
ord-340d26b303cb4f0bb5f8ecd054fc98c3
出典データセット
uspto-grants-2013_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08389509B2

反応ノート

読み込み中…

このページの内容参加物実験手順後処理出典と根拠反応ノート