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llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
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Hexamethyldisilazane → Letrozole

HRID 646656
ノート
印刷プレビュー

反応式

HRID 646656 の反応式
C[Si]([N-][Si](C)(C)C)(C)C.[Na+].C[Si](C)(C)N[Si](C)(C)C.[NH2-:20].[Na+].[F:22][C:23]1[CH:30]=[CH:29][C:26]([C:27]#[N:28])=[CH:25][CH:24]=1.[NH:31]1[CH:35]=[N:34][C:33]([CH2:36][C:37]2[CH:44]=[CH:43][C:40]([C:41]#[N:42])=[CH:39][CH:38]=2)=[N:32]1>O1CCCC1.CC(N(C)C)=O.CN(C)C=O>[NH:31]1[CH:35]=[N:34][C:33]([CH2:36][C:37]2[CH:44]=[CH:43][C:40]([C:41]#[N:42])=[CH:39][CH:38]=2)=[N:32]1.[F:22][C:23]1[CH:30]=[CH:29][C:26]([C:27]#[N:28])=[CH:25][CH:24]=1.[CH:25]1[C:26]([C:27]#[N:28])=[CH:29][CH:30]=[C:23]([CH:41]([N:42]2[N:32]=[CH:33][N:34]=[CH:35]2)[C:40]2[CH:43]=[CH:44][C:37]([C:36]#[N:20])=[CH:38][CH:39]=2)[CH:24]=1
参加物実験手順出典と根拠反応ノート

参加物

11

反応物 5

HCID 13838HexamethyldisilazaneHCID 145174-Fluorobenzonitrile2 回HCID 24533Sodium amideHCID 2724254Sodium bis(trimethylsilyl)amide2 回HCID 178509721HCID 178509721、化合物

生成物 3

HCID 3902Letrozole
HCID 14517
4-Fluorobenzonitrile
HCID 178509721HCID 178509721、化合物

試薬・触媒・溶媒 3

HCID 6228Dimethylformamide溶媒HCID 8028Tetrahydrofuran溶媒2 回HCID 31374Dimethylacetamide溶媒

実験手順

Most preferably, the base is sodium bis(trimethylsilyl)amide, which may be prepared from hexamethyldisilazane and sodium amide, or purchased as a 40 percent solution in tetrahydrofuran. To avoid reaction between the 4-fluorobenzonitrile V and the sodium bis(trimethylsilyl)amide, the base is preferably added gradually to the mixture of synthons (all known procedures first generate the anion of intermediate III prior to bringing it into contact with 4-fluorobenzonitrile V). Approximately equimolar amounts of the intermediate III and 4-fluorobenzonitrile V in dimethylacetamide, dimethylformamide, or tetrahydrofuran provide a yield of about 85 percent by weight of pure letrozole after isolation and purification. As no stoichiometric excess of 4-fluorobenzonitrile V is required, any side-reactions with the base are believed to be negligible.

出典と根拠

ORDレコード
ord-af800d977dea40cdaf93e3d2be94c129
出典データセット
uspto-grants-2010_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07705159B2

反応ノート

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