(1S,2R)-1-((2-Hydroxy-3,5-di-tert-butylbenzylidene)amino)indan-2-ol
基本情報
- CAS
212378-89-7- 標準SMILES
CC(C)(C)c1cc(C=N[C@H]2c3ccccc3C[C@H]2O)c(O)c(C(C)(C)C)c1- InChIKey
MMNHXVSQIRTBOZ-FOYRYCBESA-N- 分子式
- C24H31NO2
- 平均分子量
- 365.5 g/mol
- 単同位体質量
- 365.23547923
名称と識別子
- 優先名称
- (1S,2R)-1-((2-Hydroxy-3,5-di-tert-butylbenzylidene)amino)indan-2-ol
- IUPAC
- (1S,2R)-1-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-inden-2-ol
- 英語名
- (1S,2R)-1-(2-(Hydroxy-3,5-di-tert-butyl&
- 分子式
- C24H31NO2
- 分子量
- 365.51
名称と別名
212378-89-7RefChem:393931(1S,2R)-1-((2-Hydroxy-3,5-di-tert-butylbenzylidene)amino)indan-2-ol623-837-9(1S,2R)-1-[(3,5-Di-tert-butyl-2-hydroxybenzylidene)amino]-2-indanol(1S,2R)-1-((3,5-Di-tert-butyl-2-hydroxybenzylidene)amino)-2,3-dihydro-1H-inden-2-olSCHEMBL13248663SCHEMBL18669394WLZ4583417709-13-8DB-361861(1s,2r)-[(3,5-di-t-butyl-2-hydroxybenzylidene)amino]indan-2-ol
名称をさらに表示
(1S,2R)-1-(2-(Hydroxy-3,5-di-tert-butyl&(1S,2R)-1-[(3,5-Di-tert-butyl-2-hydroxybenzylidene)amino]-2-...(1S,2R)-1-[(3,5-Di-tert-butyl-2-hydroxybenzylidene)amino]-2-indanol 97%1H-Inden-2-ol, 1-[[[3,5-bis(1,1-dimethylethyl)-2-hydroxyphenyl]methylene]amino]-2,3-dihydro-, (1S,2R)-
(1R,2S)-(+)-1-(3,5-DI-TERT-BUTYLSALICYLIDENE)AMINO-2-INDANOL(1S,2r)-1-((e)-(3,5-di-tert-butyl-2-hydroxybenzylidene)amino)-2,3-dihydro-1h-inden-2-ol(1S,2R)-1-((E)-3,5-di-tert-butyl-2-hydroxybenzylideneamino)-2,3-dihydro-1H-inden-2-ol(1S,2R)-1-[(3,5-Di-tert-butyl-2-hydroxybenzylidene)amino]-2-indanol, 97%
データベース識別子
- CAS
212378-89-7- PubChem CID
- 135489152
- EC Number
- 623-837-9
- Nikkaji
- J1.332.404B
物性
構造計算による物性
- XLogP
- 5.6
- 極性表面積
- 52.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 529
物理化学的性質
- 融点
- 128 · 128-131 °C
- 外見
- solid
- InChI
- 1S/C24H31NO2/c1-23(2,3)17-11-16(22(27)19(13-17)24(4,5)6)14-25-21-18-10-8-7-9-15(18)12-20(21)26/h7-11,13-14,20-21,26-27H,12H2,1-6H3/b25-14+/t20-,21+/m1/s1
- InChIKey
- MMNHXVSQIRTBOZ-FOYRYCBESA-N
- SMILES
- CC(C)(C)c1cc(\C=N\[C@@H]2[C@H](O)Cc3ccccc23)c(O)c(c1)C(C)(C)C
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
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用(1S,2R)-1-[(3,5-Di-tert-butyl-2-hydroxybenzylidene)amino]-2-indanol can be used as a ligand to prepare Schiff-base chromium(III) complex, which is used as a catalyst in the synthesis of: Poly(cyclohexene carbonate) by coupling of CO2 and cyclohexene oxide. β-hydroxyenol ethers by asymmetric hetero-ene reaction between aryl aldehydes and 2-methoxypropene.
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