ChemicalBook > CAS DataBase List > (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

Product Name
(S)-TERT-BUTYL 1-(CHLOROMETHYL)-5-HYDROXY-1H-BENZO[E]INDOLE-3(2H)-CARBOXYLATE
CAS No.
130007-86-2
Chemical Name
(S)-TERT-BUTYL 1-(CHLOROMETHYL)-5-HYDROXY-1H-BENZO[E]INDOLE-3(2H)-CARBOXYLATE
Synonyms
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
Molecular Formula
C18H20ClNO3
Formula Weight
333.81
MOL File
130007-86-2.mol
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(S)-TERT-BUTYL 1-(CHLOROMETHYL)-5-HYDROXY-1H-BENZO[E]INDOLE-3(2H)-CARBOXYLATE Property

Melting point:
161 °C (decomp)
Boiling point:
493.7±45.0 °C(Predicted)
Density 
1.275±0.06 g/cm3(Predicted)
storage temp. 
-20°C
form 
powder
pka
9.63±0.40(Predicted)
optical activity
[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
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Safety

RIDADR 
UN 3077 9 / PGIII
WGK Germany 
3
Storage Class
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H410Very toxic to aquatic life with long lasting effects

Precautionary statements

P273Avoid release to the environment.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
ALD00034
Product name
(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate
Purity
95% (HPLC)
Packaging
10mg
Price
$115.75
Updated
2025/07/31
Crysdot
Product number
CD11298265
Product name
(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate
Purity
97%
Packaging
1g
Price
$327
Updated
2021/12/16
Crysdot
Product number
CD11298265
Product name
(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate
Purity
97%
Packaging
5g
Price
$982
Updated
2021/12/16
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(S)-TERT-BUTYL 1-(CHLOROMETHYL)-5-HYDROXY-1H-BENZO[E]INDOLE-3(2H)-CARBOXYLATE Chemical Properties,Usage,Production

Uses

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 Preparation Products And Raw materials

Raw materials

Preparation Products

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(S)-TERT-BUTYL 1-(CHLOROMETHYL)-5-HYDROXY-1H-BENZO[E]INDOLE-3(2H)-CARBOXYLATE Suppliers

China 17 United States 2 Global 19
shanghai jinquzheshengwuyiyao
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Career Henan Chemica Co
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Shanghai Sunway Pharmaceutical Technology Co.,Ltd.
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Anqing Rong Chuang Biological Technology Co., Ltd.
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130007-86-2, (S)-TERT-BUTYL 1-(CHLOROMETHYL)-5-HYDROXY-1H-BENZO[E]INDOLE-3(2H)-CARBOXYLATERelated Search:


  • (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
  • 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)
  • (<i>S</i>)-<i>tert</i>-Butyl 1-(chloromethyl)-5-hydroxy-1<i>H</i>-benzo[e]indole-3(2<i>H</i>)-carboxylate
  • 130007-86-2