基本情報
- CAS
101055-57-6- 標準SMILES
CN1C(=O)CN(C(=O)c2ccccc2)C1C(C)(C)C- InChIKey
QMSFVKQUCYMTLD-UHFFFAOYSA-N- 分子式
- C15H20N2O2
- 平均分子量
- 260.33 g/mol
- 単同位体質量
- 260.15247789
概要
See other relationships...
名称と識別子
- 優先名称
- 1-Benzoyl-2-tert-butyl-3-methylimidazolidin-4-one
- IUPAC
- 1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one
- 現地名
- (2R)-1-ベンゾイル-2-tert-ブチル-3-メチル-4-イミダゾリジノン
- 英語名
- (2R)-(-)-1-Benzoyl-2-tert-butyl-3-methyl-4-imidazolidinone
- 分子式
- C15H20N2O2
- 分子量
- 260.33
名称と別名
1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one101055-57-6(2R)-(-)-1-Benzoyl-2-tert-butyl-3-methyl-4-imidazolidinone4-Imidazolidinone,1-benzoyl-2-(1,1-dimethylethyl)-3-methyl-, (2R)-Oprea1_591970SCHEMBL7193232DTXSID60341209AKOS024307568DB-058558ST503312841-Benzoyl-2-t-butyl-3-methyl-imidazolidin-4-one1-Benzoyl-2-tert-butyl-3-methyl-4-imidazolidinone #
名称をさらに表示
(2R)-1-ベンゾイル-2-tert-ブチル-3-メチルイミダゾリジン-4-オン(2R)-1-ベンゾイル-2-tert-ブチル-3-メチル-4-イミダゾリジノン(R)-1-BENZOYL-2-TERT-BUTYL-3-METHYL- &(2R)-(-)-1-BENZOYL-2-TERT-BUTYL-3-METHYL1-benzoyl-2-tert-butyl-3-methyl-4-imidazolidinone(2R)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one(R)-1-Benzoyl-2-(tert-butyl)-3-methylimidazolidin-4-one(2R)-(-)-1-Benzoyl-2-tert-butyl- 3-methyl-4-imidazolidinon(R)-1-Benzoyl-2-tert-butyl-3-methyl-4-imidazolidinone(2R)-(-)-1-BENZOYL-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE 99+%
物性
構造計算による物性
- XLogP
- 2.6
- 極性表面積
- 40.6 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
- 2
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 367
物理化学的性質
- 融点
- 144 · 144-147°C
- 沸点
- 425.3 · 425.3±38.0 °C(Predicted)
- 比重(密度)
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- 貯蔵温度
- 30 °C · Store below +30°C.
- 酸解離定数(Pka)
- -0.7 · -0.70±0.40(Predicted)
- 外見
- powder
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- wgk
- WGK 3 highly water endangering
- hs_code
- 2933 29 90
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
化学と産業
調製方法
純化方法Recrystallise these chiral imidazolinones from boiling EtOH (solubility is 1.43g/mL) or better by dissolving in CH2Cl2 and adding pentane, filtering and drying for at least 12hours at 60o/0.1mm and sublime them at 135o/0.01mm. They have also been purified by flash column chromatography through Merck silica gel at 0.04-0.063mm and using Et2O/pet ether/MeOH (60:35:5) as eluent. They are then recrystallised from EtOH/pet ether. [IR, NMR: Seebach et al. Helv Chim Acta 70 237 1987, Fitzi & Seebach Angew Chem, Int Ed Engl 25 345 1986.] The racemate is purified in a similar manner and has m 104-105o [NMR: Seebach et al. Helv Chim Acta 68 949 1985].
サプライヤー3 社
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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