(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate

 化学構造式
130007-86-2
CAS番号.
130007-86-2
化学名:
别名:
英語名:
(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate
英語别名:
N-Boc-seco-CBI;(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate;tert-Butyl (S)-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-benzo[e]indole-3-carboxylate;(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate 95% (HPLC);(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate;3H-Benz[e]indole-3-carboxylic acid, 1-(chloromethyl)-1,2-dihydro-5-hydroxy-, 1,1-dimethylethyl ester, (1S)-
CBNumber:
CB23909391
化学式:
C18H20ClNO3
分子量:
333.81
MOL File:
130007-86-2.mol

(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate 物理性質

融点 :
161 °C (decomp)
沸点 :
493.7±45.0 °C(Predicted)
比重(密度) :
1.275±0.06 g/cm3(Predicted)
貯蔵温度 :
-20°C
外見 :
酸解離定数(Pka):
9.63±0.40(Predicted)
旋光度(Optical Rotation):
[α]/D -89.0, c = 0.05% in chloroform
InChI:
1S/C18H20ClNO3/c1-18(2,3)23-17(22)20-10-11(9-19)16-13-7-5-4-6-12(13)15(21)8-14(16)20/h4-8,11,21H,9-10H2,1-3H3/t11-/m1/s1
InChIKey:
DGPQGWRHSMFTSW-LLVKDONJSA-N
SMILES:
OC1=C2C(C=CC=C2)=C3C(N(C(OC(C)(C)C)=O)C[C@H]3CCl)=C1
安全性情報
  • リスクと安全性に関する声明
  • 危険有害性情報のコード(GHS)
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
ストレージクラス 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
絵表示(GHS) Exclamation Mark (GHS07)Environment (GHS09)
注意喚起語 警告
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード
H302 飲み込むと有害 急性毒性、経口 4 警告 P264, P270, P301+P312, P330, P501
H410 長期的影響により水生生物に非常に強い毒性 水生環境有害性、慢性毒性 1 警告 P273, P391, P501
注意書き
P273 環境への放出を避けること。
P501 内容物/容器を...に廃棄すること。

(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate 価格 もっと(1)

メーカー 製品番号 製品説明 CAS番号 包装 価格 更新時間 購入
Sigma-Aldrich Japan ALD00034 95% (HPLC)
(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate 95% (HPLC)
130007-86-2 10mg ¥15300 2024-03-01 購入

(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate 化学特性,用途語,生産方法

使用

N-Boc-CBI best used as its seco precursor (seco-N-Boc-CBI) is a simple alkylation subunit analog of that found in the naturally occurring antitumor agents the duocarmycins, yatakemycin, and CC-1065, which act by sequence selective DNA alkylation.

(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate 上流と下流の製品情報

原材料

準備製品


(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate 生産企業

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  • 130007-86-2
  • tert-Butyl (S)-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-benzo[e]indole-3-carboxylate
  • N-Boc-seco-CBI
  • 3H-Benz[e]indole-3-carboxylic acid, 1-(chloromethyl)-1,2-dihydro-5-hydroxy-, 1,1-dimethylethyl ester, (1S)-
  • (S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate 95% (HPLC)
  • (S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate
  • (S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate
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