bromo({[(bromozincio)methyl]zincio}methyl)zinc; oxolane

• ChemBase编号: 128675
• 分子式: C6H12Br2OZn3
• 平均质量: 456.10688
• 单一同位素质量: 449.712915
• SMILES: Br[Zn]C[Zn]C[Zn]Br.C1CCCO1
• Canonical SMILES: C1CCCO1.Br[Zn]C[Zn]C[Zn]Br
• InChI: InChI=1S/C4H8O.2CH2.2BrH.3Zn/c1-2-4-5-3-1;;;;;;;/h1-4H2;2*1H2;2*1H;;;/q;;;;;;2*+1/p-2
• InChIKey: CCTHTLJWXPUNGT-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: bromo({[(bromozincio)methyl]zincio}methyl)zinc; oxolane
• IUPAC传统名: bromo({[(bromozincio)methyl]zincio}methyl)zinc; tetrahydrofuran
• 别名: 环-二溴二-μ-亚甲基[μ-(四氢呋喃)]三锌; Nysted 试剂; cyclo-Dibromodi-?-methylene[?-(tetrahydrofuran)]trizinc; Nysted reagent; cyclo-Dibromodi-μ-methylene[μ-(tetrahydrofuran)]trizinc; Nysted Reagent

登记号

• CAS号: 41114-59-4
• MDL号: MFCD00134567
• 默克索引号: 146737
• PubChem SID: 24863854
• Chemspider ID: 21171210
• 维基百科标题: Nysted_reagent

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.6108
• LogD (pH = 7.4): 1.6108
• Log P: 1.6108
• 摩尔折射率: 26.423 cm^3
• 极化性: 21.17705 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: -14.8 °F; -26 °C; -26.0°C; -26°C(-15°F)
• 密度: 1.186; 1.186 g/mL at 25 °C(lit.)

安全信息

• 保存注意事项: Air & Moisture Sensitive
• 欧盟危险性物质标志: 易燃性(Flammable) (F); X; 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3399; UN3399
• 德国WGK号: 3
• 联合国危险货物等级: 4.3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11-14-19-22-36/37/38; 11-19-36/37
• 安全公开号: 16-26; 16-26-36; 8-16-26-30-33-36/37-60
• TSCA收录: 否
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08
• GHS警示词: Danger
• 主要危害: Flammable, may form explosive peroxides and reacts violently with water
• GHS危险声明: H225-H261-H351-H302-H315-H319-H335; H225-H318-H335
• GHS警示性声明: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P280-P305 + P351 + P338
• RID/ADR: UN 3399 4.3/PG 2
• 欧盟补充危害声明: May form explosive peroxides.

产品相关信息

• 纯度: 20% w/w suspension in THF
• 浓度: 20 wt. % suspension in THF
• Empirical Formula (Hill Notation): C6H12Br2OZn3

详细说明

Sigma Aldrich - 381985

Application
酮和 α-酮醇亚甲基化反应的有效试剂。
Reactant for:
• Synthesis of amphidinolide T3 using a ring-closing metathesis and asymmetric dihydroxylation strategy1
• Methylenation of carbonyl compounds2
• Olefination reactions3
包装
100 g in glass bottle