683973

(5aR,10bS)-5a,10b-二氢-2-(2,4,6-三甲苯基)-4H,6H-茚并[2,1-b]-1,2,4-三唑并[4,3-d]-1,4-噁嗪鎓氯化物

93%

• 同義詞: Bode 催化剂 2
• 經驗公式（希爾表示法）: C₂₁H₂₂ClN₃O · H₂O
• CAS號碼: 903571-02-8
• 分子量：: 385.89
• 分類程式碼代碼: 12352005
• PubChem物質ID: 329760886
• NACRES: NA.22

屬性

• 化驗: 93%
• 形狀: solid
• 光學活性: [α]20/D +158°, c = 1 in chloroform
• mp: 226-230 °C
• SMILES 字串: [Cl-].Cc1cc(C)c(c(C)c1)-[n+]2c[n@@H]3[C@@H]4[C@@H](Cc5ccccc45)OCc3n2
• InChI: 1S/C21H22N3O.ClH/c1-13-8-14(2)20(15(3)9-13)24-12-23-19(22-24)11-25-18-10-16-6-4-5-7-17(16)21(18)23;/h4-9,12,18,21H,10-11H2,1-3H3;1H/q+1;/p-1/t18-,21+;/m1./s1
• InChI 密鑰: GUECWMLEUCWYOS-WKOQGQMTSA-M

描述

一般說明

It is an N-mesityl-substituted chiral triazolium N-heterocyclic carbene (NHC) compound. It was developed as an organocatalyst by the Bode group, for the catalytic generation of reactive species including activated carboxylates, homoenolates, and enolates.

應用

(5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b]-1,2,4-triazolo[4,3-d]-1,4-oxazinium chloride monohydrate can be used as a catalyst:

• In the preparation of dihydropyridinones by reacting enals or α′-hydroxyenones with vinylogous amides via aza-Claisen annulations.
• In the oxidative coupling reactions of di(hetero)arylmethanes with enals to yield benzimidazole fused lactams.
• In the synthesis of organosilanes by reacting enals with β-silyl enones.

法律資訊

与 BioBlocks, Inc. 联合销售

安全資訊

• 象形圖: GHS07
• 訊號詞: Warning
• 危險聲明: H315,H319,H335
• 防範說明: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• 危險分類: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• 標靶器官: Respiratory system
• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable
• 個人防護裝備: dust mask type N95 (US), Eyeshields, Gloves