5-Benzyloxy-1-boc-indole-2-boronic acid

Basic Information

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CAS Number

850568-62-6

Molecular Formula

C20H22BNO5

Molecular Weight

367.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

106-110

SMILES

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B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)OCC3=CC=CC=C3)(O)O

InChI

InChI=1S/C20H22BNO5/c1-20(2,3)27-19(23)22-17-10-9-16(11-15(17)12-18(22)21(24)25)26-13-14-7-5-4-6-8-14/h4-12,24-25H,13H2,1-3H3

InChIKey

IQKGFXDPCFAYFP-UHFFFAOYSA-N

LogP

2.6833000000000014

Topological Polar Surface Area

80.92 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

503

Safety Information

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Hazard Statement

Synonyms & References

English

(5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
5-Benzyloxy-1-Boc-Indole-2-Boronic Acid
[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxyindol-2-yl]boronic acid
1H-Indole-1-carboxylic acid, 2-borono-5-(phenylmethoxy)-, 1-(1,1-dimethylethyl) ester
1-boc-indole-5-benzyloxy-2-boronic acid
1-tert-butyloxycarbonyl-5-benzyloxy-indole-2-boronic acid
2-borono-5-benzyloxy-indole-1-carboxylic acid tert-butyl ester
5-Benzyloxy-1H-indole-2-boronic acid,N-BOC protected
5-Benzyloxyindole-2-boronic acid,N-BOC protected
[5-(benzyloxy)-1-[(tert-butoxy)carbonyl]-1H-indol-2-yl]boronic acid
5-BENZYLOXY-1-BOC-INDOLE-2-BORONIC ACID
5-benzyloxy-1-Boc-indole-2-boronic acid, AldrichCPR
5-(benzyloxy)-1-(tert-butoxycarbonyl)indol-2-ylboronic acid
5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indole-2-boronic acid
MFCD06659824
AKOS004113907
5-Benzyloxy-1H-indole-2-boronic acid, N-BOC protected
1H-INDOLE-1-CARBOXYLIC ACID, 2-BORONO-5-(PHENYLMETHOXY)-, 1-(1,1-DIMETHYLETHYL) ESTER
DTXSID80583083
PS-9663
5-Benzyloxyindole-2-boronic acid, N-BOC protected
AB26406
J-503646
SCHEMBL1180319
1-(TERT-BUTOXYCARBONYL)-5-(BENZYLOXY)-1H-INDOL-2-YL-2-BORONIC ACID
CS-0002250
DB-006958
5-(benzyloxy)-1-(tert-butoxycarbonyl)-1h-indol-2-ylboronic acid
850568-62-6
[5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl]boronic acid
{1-{[(1,1-dimethylethyl)oxy]carbonyl}-5-[(phenylmethyl)oxy]-1H-indol-2-yl}boronic acid

MDL Number

MFCD06659824

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 5-Benzyloxy-1-boc-indole-2-boronic acid (CAS: 850568-62-6)?

5-Benzyloxy-1-boc-indole-2-boronic acid (CAS: 850568-62-6) is subject to regulatory guidelines under REACH in the European Union, with specific requirements for notification and registration. In the U.S., it is regulated by the FDA and EPA for safety and environmental impact. Users should adhere to local and international chemical safety standards, including proper labeling and handling practices.

Are there alternatives to 5-Benzyloxy-1-boc-indole-2-boronic acid (CAS: 850568-62-6) in synthesis?

Alternatives to 5-Benzyloxy-1-boc-indole-2-boronic acid (CAS: 850568-62-6) include other boronic acids and derivatives of indoles, such as 1-benzyl-2-boronic acid or 5-hydroxy-1-boc-indole-2-boronic acid. These can serve as effective substitutes in various synthetic reactions, depending on the specific requirements of the synthesis.

What is the market or research trend for 5-Benzyloxy-1-boc-indole-2-boronic acid (CAS: 850568-62-6)?

The market trend for 5-Benzyloxy-1-boc-indole-2-boronic acid (CAS: 850568-62-6) is driven by its use in drug discovery and synthetic chemistry. Research is focusing on its potential as a key intermediate in the development of bioactive compounds and as a building block for complex molecular structures. The increasing demand in the pharmaceutical industry is expected to drive market growth.

How should waste containing 5-Benzyloxy-1-boc-indole-2-boronic acid (CAS: 850568-62-6) be handled?

Waste containing 5-Benzyloxy-1-boc-indole-2-boronic acid (CAS: 850568-62-6) should be collected in appropriate containers and managed according to local hazardous waste regulations. For disposal, it is recommended to use professional waste disposal services that comply with environmental protection standards. Incineration is a common method, but ensure it is conducted in a controlled and safe manner to minimize environmental impact.