1-(tert-Butyldimethylsilyl)-1H-indole-4-boronic acid
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基本情報
- CAS
351457-64-2- 標準SMILES
CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21- InChIKey
PTZKCFPZTHUQTI-UHFFFAOYSA-N- 分子式
- C14H22BNO2Si
- 平均分子量
- 275.23 g/mol
- 単同位体質量
- 275.1512856
名称と識別子
- 優先名称
- 1-(tert-Butyldimethylsilyl)-1H-indole-4-boronic acid
- IUPAC
- [1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid
- 英語名
- 1-(TERT-BUTYLDIMETHYLSILYL)-1H-INDOLE-4-BORONIC ACID 98
- 分子式
- C14H22BNO2Si
- 分子量
- 275.23
名称と別名
1-(tert-Butyldimethylsilyl)-1H-indole-4-boronic acidRefChem:428714689-340-4351457-64-21-TBDMS-indole-4-boronic acid(1-(tert-Butyldimethylsilyl)-1H-indol-4-yl)boronic acidMFCD08436007[1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid1-(TERT-BUTYLDIMETHYLSILYL)-1H-INDOL-4-YLBORONIC ACID1-(TERT-BUTYLDIMETHYLSILYL)-1H-INDOLE-4-BORONIC ACID 98[1-(tert-butyldimethylsilyl)-1H-indol-4-yl]boronic acid1-(tert-Butyldimethylsilyl)indole-4-boronic acid
名称をさらに表示
1-(Tert-Butyldimethylsilyl)Indole-4-Boronic1-(tert-ButyldiMethylsilyl)indole-4-boronic acid, 98%1-(tert-butyldimethylsilyl)-1H-indol-4-yl-4-boronic acid1-(tert-Butyldimethylsilyl)-1H-indole-4-boronic acid 98%{1-[(1,1-dimethylethyl)(dimethyl)silyl]-1H-indol-4-yl}boronic acidBoronic acid, B-[1-[(1,1-dimethylethyl)dimethylsilyl]-1H-indol-4-yl]-Boronic acid,[1-[(1,1-dimethylethyl)dimethylsilyl]-1H-indol-4-yl]- (9CI)
SCHEMBL1096421-TBDMS-4-indoleboronic acidDTXSID70625163PTZKCFPZTHUQTI-UHFFFAOYSA-NAKOS015894179PS-9705DA-06533CS-0175363
データベース識別子
- CAS
351457-64-2- PubChem CID
- 22352397
- DTXSID
DTXSID70625163- EC Number
- 689-340-4
物性
構造計算による物性補完中
- 極性表面積
- 45.4 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 330
物理化学的性質
- 融点
- 130 · 130-135
- 沸点
- 352.1 · 352.1±48.0 °C(Predicted)
- 比重(密度)
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- 貯蔵温度
- Keep Cold
- 外見
- solid
- 酸解離定数(Pka)
- 9.07 · 9.07±0.30(Predicted)
- 色
- White
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 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (80%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (20%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
安全データ
- hs_code
- 2933299090
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
化学と産業
応用分野
使用1-Tbdms-Indole-4-Boronic Acid is used in preparation of Benzofurans as Bromodomain inhibitors useful in treatment of diseases.
関連反応
7 件
化合物ノート
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