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1-Boc-5-bromo-3-hydroxymethylindole is a chemical compound with the molecular formula C15H17BrN2O3. It is an indole derivative that features a tert-butoxycarbonyl (Boc) protecting group, a bromine atom at the 5 position, and a hydroxymethyl group at the 3 position. 1-Boc-5-bromo-3-hydroxymethylindole is widely used in organic synthesis as a versatile building block for the preparation of pharmaceuticals and agrochemicals, thanks to its Boc protecting group that enables selective reactions and can be removed under mild conditions.

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  • SAGECHEM/tert-Butyl 5-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylate/SAGECHEM/Manufacturer in China

    Cas No: 905710-14-7

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  • 905710-14-7 Structure
  • Basic information

    1. Product Name: 1-Boc-5-bromo-3-hydroxymethylindole
    2. Synonyms: 1-Boc-5-bromo-3-hydroxymethylindole;5-Bromo-3-(hydroxymethyl)-1H-indole, N-BOC protected 98%;tert-Butyl 5-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylate, 5-Bromo-1-(tert-butoxycarbonyl)-3-(hydroxymethyl)-1H-indole;1H-INDOLE-1-CARBOXYLIC ACID, 5-BROMO-3-(HYDROXYMETHYL)-, 1,1-DIMETHYLETHYL ESTER;5-Bromo-3-(hydroxymethyl)-1H-indole,N-BOCprotected98%
    3. CAS NO:905710-14-7
    4. Molecular Formula: C14H16BrNO3
    5. Molecular Weight: 326.188
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 905710-14-7.mol
  • Chemical Properties

    1. Melting Point: 105-107 °C
    2. Boiling Point: 442.078°C at 760 mmHg
    3. Flash Point: 221.161°C
    4. Appearance: /
    5. Density: 1.43g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.586
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 14.11±0.10(Predicted)
    11. CAS DataBase Reference: 1-Boc-5-bromo-3-hydroxymethylindole(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-Boc-5-bromo-3-hydroxymethylindole(905710-14-7)
    13. EPA Substance Registry System: 1-Boc-5-bromo-3-hydroxymethylindole(905710-14-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 905710-14-7(Hazardous Substances Data)

905710-14-7 Usage

Uses

Used in Pharmaceutical Industry:
1-Boc-5-bromo-3-hydroxymethylindole is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to facilitate selective reactions and its compatibility with a range of chemical processes. The Boc group's mild removal conditions make it an ideal candidate for the development of complex organic molecules with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 1-Boc-5-bromo-3-hydroxymethylindole is utilized as a building block for the creation of new agrochemicals. Its unique structure and functional groups contribute to the development of compounds with specific pesticidal or herbicidal properties, enhancing crop protection and yield.
Used in Organic Synthesis:
1-Boc-5-bromo-3-hydroxymethylindole is employed as a versatile intermediate in organic synthesis, allowing chemists to construct complex organic molecules with precision. The presence of the Boc protecting group ensures that the molecule can undergo selective reactions without affecting other functional groups, which is crucial for the synthesis of target compounds with desired properties.

Check Digit Verification of cas no

The CAS Registry Mumber 905710-14-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,0,5,7,1 and 0 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 905710-14:
(8*9)+(7*0)+(6*5)+(5*7)+(4*1)+(3*0)+(2*1)+(1*4)=147
147 % 10 = 7
So 905710-14-7 is a valid CAS Registry Number.
InChI:InChI=1/C14H16BrNO3/c1-14(2,3)19-13(18)16-7-9(8-17)11-6-10(15)4-5-12(11)16/h4-7,17H,8H2,1-3H3

905710-14-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 5-bromo-3-(hydroxymethyl)indole-1-carboxylate

1.2 Other means of identification

Product number -
Other names 1-Boc-5-Bromo-3-hydroxymethylindole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:905710-14-7 SDS

905710-14-7Downstream Products

905710-14-7Relevant articles and documents

Investigation into factors influencing stereoselectivity in the reactions of heterocycles with donor-acceptor-substituted rhodium carbenoids

Hedley, Simon J.,Ventura, Dominic L.,Dominiak, Paulina M.,Nygren, Cara L.,Davies, Huw M. L.

, p. 5349 - 5356 (2006)

Rhodium-catalyzed decomposition of aryldiazoacetates in the presence of pyrroles or furans results in mono- or biscyclopropanation of the heterocycle, but with opposite enantioinduction, In the absence of sterically encumbering groups, the cyclopropanatio

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