ジピバロイルメタン

2,2,6,6-Tetramethyl-3,5-heptanedione

HCID 70700CAS 1118-71-4

基本情報

標準SMILES
CC(C)(C)C(=O)CC(=O)C(C)(C)C
InChIKey
YRAJNWYBUCUFBD-UHFFFAOYSA-N
分子式
C11H20O2
平均分子量
184.27 g/mol
単同位体質量
184.14632988

名称と識別子

優先名称
2,2,6,6-Tetramethyl-3,5-heptanedione
IUPAC
2,2,6,6-tetramethylheptane-3,5-dione
現地名
ジピバロイルメタン
英語名
2,2,6,6-Tetramethyl-3,5-heptanedione
分子式
C11H20O2
分子量
184.28

名称と別名

1118-71-4Dipivaloylmethane2,2,6,6-Tetramethyl-3,5-heptanedione3,5-Heptanedione, 2,2,6,6-tetramethyl-DTXSID7049396R8UI909HOYNSC-1742962,2,6,6,-tetramethyl-3,5-heptanedioneDTXCID4029355RefChem:134758214-268-32,2,6,6-Tetramethylheptane-3,5-dione
名称をさらに表示
ジピバロイルメタン2,2,6,6-テトラメチル-3,5-ヘプタンジオン2,2,6,6-テトラメチル3,5-ヘプタンジオン2,2,6,6-テトラメチル-3,5-ヘプタン-ジオン2,2,6,6-テトラメチル-3,5-ヘプタジオン2,2,6,6-テトラメチルヘプタン-3,5-ジオン2,2,6,6‐テトラメチル‐3,5‐ヘプタンジオン2,2,6,6-テトラメチル-3,5-ヘプタンジオン, 98%2,2,6,6-Tetramethyl heptanedione2,2,6,6-Tetramethyl-3,5-heptadionebutan-1-ol,propan-2-ol,titaniumdpm-h5-heptanedione6-Tetramethyl-3
MFCD000088482,2,6,6-tetramethyl-heptane-3,5-dioneUNII-R8UI909HOY1,3-Di-tert-butyl-1,3-propanedione; Dipivaloylmethane; NSC 174296dipivaloyl methaneEINECS 214-268-3TMHDNSC 174296

データベース識別子

CAS
1118-71-4
PubChem CID
70700
DTXSID
DTXSID7049396
ChEMBL
CHEMBL3186481
UNII
R8UI909HOY
EC Number
214-268-3
Nikkaji
J4.487C

物性

構造計算による物性

XLogP
2.6
極性表面積
34.1 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
4
重原子数
13

物理化学的性質

融点
400 °C · >400 °C (decomp)
沸点
72 · 72-73 °C/6 mmHg (lit.)
比重(密度)
0.883 g/mL · 0.883 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.459(lit.)
闪点
153 °F · 153 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

安全と法規制

安全データ

wgk
3
tsca
TSCA listed
ridadr
UN 1993 / PGIII
hs_code
29141900
risk_code
22-40-36/37/38
消防法
危-4-2-III

化学と産業

応用分野 · 2 件

使用2,2,6,6-tetramethyl-3,5-heptanedione was used in the synthesis of α-aryl-β-diketones1 and dicyanamidobenzene-bridge diruthenium complex.

一般的な説明Acylation, a replacement to silylation, allows the conversion of compounds that consist of active hydrogens (-OH, -SH and -NH) into esters, thioesters, and amides via the action of a carboxylic acid or derivative. The carbonyl group adjacent to the halogenated carbons is known to improve the electron capture detector (ECD) response. Acylation has several advantages:It enhances the stability of compounds by protecting unstable groups.It may confer volatility on substances like carbohydrates or amino acids, that have several polar groups that they are non-volatile and usually decompose on heating.It facilitates the separations not possible with underivatized compounds.Compounds are detectable at very low levels with an ECD.2,2,6,6-Tetramethyl-3,5-heptanedione is a reagent used to form fragmentation-directing derivatives for GC/MS analysis.

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INTATRADE GmbH+49 3493/605464 · [email protected]

補足説明

定義2,2,6,6-Tetramethyl-3,5-heptanedioneis a stable, anhydrous reagent. It undergoes O-additions and C-additions. In various reactions, it acts as an air-stable ligand for metal catalysts. Furthermore, it serves as a substrate for heterocycles.

関連反応

350 件

関連ノート

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