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Sodium Hydroxide → N-methyl-2-[[2-[[bis[bis(2-chloroethyl)amino]phosphinyl]oxy]ethyl]thio]acetamide

HRID 855517
ノート
印刷プレビュー

反応式

HRID 855517 の反応式
[OH-].[Na+].[CH3:3][NH:4][C:5](=[O:8])[CH2:6][SH:7].[Cl:9][CH2:10][CH2:11][N:12]([CH2:36][CH2:37][Cl:38])[P:13]([N:29]([CH2:33][CH2:34][Cl:35])[CH2:30][CH2:31][Cl:32])(=[O:28])[O:14][CH2:15][CH2:16]OS(C1C=CC(Br)=CC=1)(=O)=O>CO.C1(C)C=CC=CC=1>[CH3:3][NH:4][C:5](=[O:8])[CH2:6][S:7][CH2:16][CH2:15][O:14][P:13]([N:29]([CH2:33][CH2:34][Cl:35])[CH2:30][CH2:31][Cl:32])([N:12]([CH2:11][CH2:10][Cl:9])[CH2:36][CH2:37][Cl:38])=[O:28]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 3

HCID 14798Sodium HydroxideHCID 4047279Acetamide, 2-mercapto-N-methyl-2 回HCID 179493772-(4-Bromobenzene-sulfonyloxy)ethyl tetrakis(2-chloroethyl)phosphorodiamidate

生成物 1

HCID 86601850N-methyl-2-[[2-[[bis[bis(2-chloroethyl)amino]phosphinyl]oxy]ethyl]thio]acetamide

試薬・触媒・溶媒 2

HCID 887Methanol溶媒
HCID 1140
Toluene
溶媒
2 回

実験手順

To a solution of crushed sodium hydroxide pellets, 2.28 g (57 mmol), in 20 mL anhydrous methanol cooled in an ice bath was added N-methyl-2-mercaptoacetamide, 3 g (28.5 mmol), slowly, followed by the addition of 20 mL anhydrous toluene and 2-(4-bromobenzenesulfonyloxy)ethyl tetrakis(2-chloroethyl)-phosphorodiamidate, 34.4 mL of 0.83 M solution in toluene (28.5), while maintaining the temperature at 5° C. or less. After stirring for about 30 min, the reaction mixture became a white slurry. It was stirred at 5° C. to room temperature overnight. LC-MS analysis indicated all the starting material, N-methyl-2-mercaptoacetamide, was consumed and the desired product was formed as a major product. The mixture was filtered and the filtrate was concentrated. The residue was partitioned between diisopropyl acetate and brine. The aqueous phase was further extracted with diisopropyl acetate three times, and the combined organic phases were dried (MgSO4) and evaporated to give the crude product, which was purified by column chromatography on a silica column using hexane/acetate and acetate/methanol as eluting solvents to afford N-methyl-2-[[2-[[bis[bis(2-chloroethyl)amino]phosphinyl]oxy]ethyl]thio]acetamide as a light yellow oil, 12 g (88% yield). 1H NMR (DMSO): δ 7.90 (bs, 1H) 4.05 (m, 2H), 3.71 (m, 8H), 3.33 (m, 8H), 3.12 (s, 2H), 2.87 (m, 2H), 2.59 (d, 3H, J=4.7 Hz), 2.76 (m, 1H). Mass spectrum (LC-MS): m/z 496 [C13H26Cl4N3O3PS+H]+.

後処理

  1. temperaturewhile maintaining the temperature at 5° C. or less
  2. stirringIt was stirred at 5° C. to room temperature overnight
  3. customwas consumed

出典と根拠

ORDレコード
ord-b0e98a64a13c4f4e82ca991d8d92db4c
出典データセット
uspto-grants-2007_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07262182B2

反応ノート

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