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(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 Structure
(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate structure
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
Molecular Weight:
333.81
MDL Number:
MFCD29059844
MOL File:
130007-86-2.mol
MSDS File:
SDS
Last updated:2026-09-12 18:51:17
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(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate Properties

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
UNSPSC Code 12352200
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H302-H410
Precautionary statements  P273-P501
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

(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate price More Price(14)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich ALD00034 (S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate 95% (HPLC) 130007-86-2 10mg $133 2026-04-30 Buy
Synthonix B60990 tert-Butyl (S)-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-benzo[e]indole-3-carboxylate >98% 130007-86-2 25mg $1053 2026-05-06 Buy
Synthonix B60990 tert-Butyl (S)-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-benzo[e]indole-3-carboxylate >98% 130007-86-2 50mg $1331 2026-05-06 Buy
Synthonix B60990 tert-Butyl (S)-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-benzo[e]indole-3-carboxylate >98% 130007-86-2 100mg $1510 2026-05-06 Buy
aablocks AA01DN5Q (S)-TERT-BUTYL 1-(CHLOROMETHYL)-5-HYDROXY-1H-BENZO[E]INDOLE-3(2H)-CARBOXYLATE 98% 130007-86-2 10mg $115 2026-05-29 Buy
Product number Packaging Price Buy
ALD00034 10mg $133 Buy
B60990 25mg $1053 Buy
B60990 50mg $1331 Buy
B60990 100mg $1510 Buy
AA01DN5Q 10mg $115 Buy

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

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

Global Suppliers ( 24)
Supplier Tel Email Country ProdList Advantage
shanghai jinquzheshengwuyiyao 1 17717547976@163.com China 1930 58
Finetech Industry Limited 027-87465837 19945049750 sales@finetechnology-ind.com China 9331 58
Sigma-Aldrich 021-61415566 800-8193336 orderCN@merckgroup.com China 51389 80
ShangHai Biochempartner Co.,Ltd 177-54423994 17754423994 2853530910@QQ.com China 8000 62
Aikon International Limited 025-66061636 19370895928 qqyang@aikonchem.com China 15810 58
Shandong utilizing biological technology co., LTD 18669728830 15966937598 3407650895@qq.com China 5167 58
Career Henan Chemica Co +86-0371-86658258 +86-13203830695 laboratory@coreychem.com China 30203 58
Shanghai Kaiwei Chemical Technology Co., Ltd. 021-58461859 15821823057 service@aiviche.com China 49299 58
Energy Chemical 400-0056266 marketing1@energy-chemical.com China 44927 58
Shanghai Sunway Pharmaceutical Technology Co.,Ltd. 13611835272 13611835272 mmwang@sunwaypharm.com China 44090 58
Supplier Advantage
shanghai jinquzheshengwuyiyao 58
Finetech Industry Limited 58
Sigma-Aldrich 80
ShangHai Biochempartner Co.,Ltd 62
Aikon International Limited 58
Shandong utilizing biological technology co., LTD 58
Career Henan Chemica Co 58
Shanghai Kaiwei Chemical Technology Co., Ltd. 58
Energy Chemical 58
Shanghai Sunway Pharmaceutical Technology Co.,Ltd. 58

130007-86-2 ((S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate) Related Search:

BOC-seco-CBI (R)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate 2,3-dihydro-1H-Benz[e]indole 130007-89-5 2-Propanone, 1-chloro-3-(3-ethyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-
3H-Benz[e]indole-3-hexanoic acid, 1,2-dihydro-1,1,2-trimethyl-, hydrobromide (1:1)

1of2

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 130007-86-2