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1,2-Dichloroethane → N-[2-Amino-5-(2-thienyl)phenyl]-4-[(3-methyl-3-oxido-2,4-dioxa-9-aza-3-phosphaspiro[5.5]undec-9-yl)carbonyl]benzamide

HRID 1013497
ノート
印刷プレビュー

反応式

HRID 1013497 の反応式
C(OC([NH:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[S:16][CH:17]=[CH:18][CH:19]=2)=[CH:11][C:10]=1[NH:20][C:21]([C:23]1[CH:31]=[CH:30][C:26]([C:27](O)=[O:28])=[CH:25][CH:24]=1)=[O:22])=O)(C)(C)C.Cl.[CH3:33][P:34]1(=[O:45])[O:39][CH2:38][C:37]2([CH2:44][CH2:43][NH:42][CH2:41][CH2:40]2)[CH2:36][O:35]1.C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C>CN(C=O)C.C([O-])(O)=O.[Na+]>[NH2:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[S:16][CH:17]=[CH:18][CH:19]=2)=[CH:11][C:10]=1[NH:20][C:21](=[O:22])[C:23]1[CH:31]=[CH:30][C:26]([C:27]([N:42]2[CH2:43][CH2:44][C:37]3([CH2:36][O:35][P:34]([CH3:33])(=[O:45])[O:39][CH2:38]3)[CH2:40][CH2:41]2)=[O:28])=[CH:25][CH:24]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 5

HCID 111,2-DichloroethaneHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 579259154-({[2-[(tert-Butoxycarbonyl)amino]-5-(2-thienyl)phenyl]amino}carbonyl)benzoic acidHCID 86635273HCID 86635273、化合物

生成物 1

HCID 57925848
N-[2-Amino-5-(2-thienyl)phenyl]-4-[(3-methyl-3-oxido-2,4-dioxa-9-aza-3-phosphaspiro[5.5]undec-9-yl)carbonyl]benzamide

試薬・触媒・溶媒 2

HCID 6228Dimethylformamide溶媒HCID 516892Sodium Bicarbonate溶媒

実験手順

4-({[2-[(tert-Butoxycarbonyl)amino]-5-(2-thienyl)phenyl]amino}carbonyl)-benzoic acid (150 mg, 0.34 mmol), 3-methyl-2,4-dioxa-9-aza-3-phosphaspiro[5.5]undecane 3-oxide hydrochloride (99 mg, 0.41 mmol), EDC (131 mg, 0.68 mmol), HOBT (105 mg, 0.68 mmol), and DIEA (119 μL, 0.68 mmol) were combined in DMF (4 mL) and stirred at room temperature for 18 h. The solution was diluted with saturated NaHCO3 and extracted with EtOAc (2×). The combined organic extracts were washed with brine, dried (MgSO4), and evaporated. Purification of the crude by flash chromatography (0-10% MeOH/CH2Cl2) afforded the desired product as a yellow solid. The solid was dissolved in a mixture of CH2Cl2 (4 mL) and TFA (1 mL) and stirred at room temperature for 2 h. The solution was diluted with 1,2-DCE and evaporated. The crude was taken up in EtOAc, washed with saturated NaHCO3 and brine, dried (MgSO4), and evaporated. The residue was dissolved in a minimum amount of MeOH, diluted with EtOAc, concentrated to approximately half-volume, and filtered to isolate the desired product as a colorless solid. 1H NMR (DMSO-d6, 600 MHz) δ 9.80 (s, 1H), 8.04 (d, J=7.3 Hz, 2H), 7.50 (d, J=6.4 Hz, 2H), 7.45 (s, 1H), 7.33 (d, J=4.9 Hz, 1H), 7.28 (d, J=8.1 Hz, 1H), 7.22 (bs, 1H), 7.03 (t, J=3.9 Hz, 1H), 6.79 (d, J=8.3 Hz, 1H), 5.17 (s, 2H), 4.29-4.09 (m, 4H), 3.72-3.56 (m, 2H), 3.39-3.23 (m, 2H), 1.77-1.60 (m, 2H), 1.58-1.51 (m, 3H), 1.51-1.36 (m, 2H). MS: cal'd 526 (MH+), exp 526 (MH+).

後処理

  1. extractionextracted with EtOAc (2×)
  2. washThe combined organic extracts were washed with brine
  3. dry with materialdried (MgSO4)
  4. customevaporated
  5. customPurification of the crude by flash chromatography (0-10% MeOH/CH2Cl2)

出典と根拠

ORDレコード
ord-a7de85644fb54587902ade71389aa8e5
出典データセット
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07981874B2

反応ノート

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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