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Tert-butyl 5-(benzyloxy)-1H-indole-1-carboxylate is an indole derivative with the molecular formula C22H23NO3. It features a tert-butyl group attached to the nitrogen atom and a benzyloxy group at the 5-position of the indole ring. This chemical compound is widely utilized in organic synthesis and medicinal chemistry as a key building block for the creation of various biologically active molecules. Its potential pharmacological properties, especially its effects on the central nervous system, have been a subject of investigation, making it a valuable intermediate in the synthesis of pharmaceuticals and natural products.

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

    Cas No: 170147-29-2

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  • 170147-29-2 Structure
  • Basic information

    1. Product Name: tert-Butyl 5-(benzyloxy)-1H-indole-1-carboxylate
    2. Synonyms: tert-Butyl 5-(benzyloxy)-1H-indole-1-carboxylate
    3. CAS NO:170147-29-2
    4. Molecular Formula: C20H21NO3
    5. Molecular Weight: 323.38564
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 170147-29-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 460.878°C at 760 mmHg
    3. Flash Point: 232.531°C
    4. Appearance: /
    5. Density: 1.104g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.56
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: tert-Butyl 5-(benzyloxy)-1H-indole-1-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: tert-Butyl 5-(benzyloxy)-1H-indole-1-carboxylate(170147-29-2)
    12. EPA Substance Registry System: tert-Butyl 5-(benzyloxy)-1H-indole-1-carboxylate(170147-29-2)
  • 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: 170147-29-2(Hazardous Substances Data)

170147-29-2 Usage

Uses

Used in Organic Synthesis:
Tert-butyl 5-(benzyloxy)-1H-indole-1-carboxylate is used as a building block in organic synthesis for the creation of a variety of biologically active molecules. Its unique structure allows for the development of new compounds with potential applications in various fields.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, tert-butyl 5-(benzyloxy)-1H-indole-1-carboxylate is employed as a key intermediate in the synthesis of pharmaceuticals. Its presence in the molecular structure can contribute to the desired pharmacological properties of the final drug product.
Used in the Synthesis of Natural Products:
Tert-butyl 5-(benzyloxy)-1H-indole-1-carboxylate is also utilized in the synthesis of natural products, which are often complex molecules with potent biological activities. Its role as an intermediate aids in the construction of these intricate natural compounds.
Used in Pharmaceutical Industry:
Tert-butyl 5-(benzyloxy)-1H-indole-1-carboxylate is used as a valuable intermediate in the pharmaceutical industry for the development of new drugs. Its potential effects on the central nervous system make it a promising candidate for the treatment of various neurological disorders.
Used in Research and Development:
In research and development, tert-butyl 5-(benzyloxy)-1H-indole-1-carboxylate is used to explore its pharmacological properties and investigate its potential applications in medicine. This includes studying its effects on the central nervous system and its interactions with biological targets.

Check Digit Verification of cas no

The CAS Registry Mumber 170147-29-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,0,1,4 and 7 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 170147-29:
(8*1)+(7*7)+(6*0)+(5*1)+(4*4)+(3*7)+(2*2)+(1*9)=112
112 % 10 = 2
So 170147-29-2 is a valid CAS Registry Number.
InChI:InChI=1/C20H21NO3/c1-20(2,3)24-19(22)21-12-11-16-13-17(9-10-18(16)21)23-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3

170147-29-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Methyl-2-propanyl 5-(benzyloxy)-1H-indole-1-carboxylate

1.2 Other means of identification

Product number -
Other names 5-Benzyloxy-1-tert-butoxycarbonyl-1H-indole

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:170147-29-2 SDS

170147-29-2Relevant articles and documents

An entry to 2-(cyclobut-1-en-1-yl)-1: H -indoles through a cyclobutenylation/deprotection cascade

Natho, Philipp,Yang, Zeyu,Allen, Lewis A. T.,Rey, Juliette,White, Andrew J. P.,Parsons, Philip J.

supporting information, p. 4048 - 4053 (2021/05/19)

A transition-metal-free strategy for the synthesis of 2-(cyclobut-1-en-1-yl)-1H-indoles under mild conditions is described herein. A series of substituted 2-(cyclobut-1-en-1-yl)-1H-indoles are accessed by a one-pot cyclobutenylation/deprotection cascade from N-Boc protected indoles. Preliminary experimental and density functional theory calculations suggest that a Boc-group transfer is involved in the underlying mechanism.

ETHER COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS

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Paragraph 0591, (2017/03/14)

Compounds, methods of use, and processes for making inhibitors of complement Factor D are provided comprising Formula I, I" and I? or a pharmaceutically acceptable salt or composition thereof. The inhibitors described herein target Factor D and inhibit or regulate the complement cascade. The inhibitors of Factor D described herein reduces the excessive activation of complement.

ETHER COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS

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Paragraph 0650, (2017/03/14)

Compounds, methods of use, and processes for making inhibitors of complement Factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof wherein R12 or R13 on the A group is an ether substituent (R32) are provided. The inhibitors described herein target Factor D and inhibit or regulate the complement cascade. The inhibitors of Factor D described herein reduce the excessive activation of complement.

A trans diacyloxylation of indoles

Liu, Qiang,Zhao, Qing Yong,Liu, Jie,Wu, Pan,Yi, Hong,Lei, Aiwen

supporting information; experimental part, p. 3239 - 3241 (2012/04/10)

A trans diacyloxylation of indoles is accomplished by employing PhI(OAc)2 as the oxidant. A broad range of functional groups are well tolerated. Both the electronic properties of the N-protecting groups of indoles and the acidity of the reaction media play important roles in the selectivity of indole acyloxylation reactions. The Royal Society of Chemistry 2012.

FARNESOID X RECEPTOR AGONISTS

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Page/Page column 256, (2009/03/07)

The present invention relates to famesoid X receptors (FXR, NR1H4) FXR is a member of the nuclear receptor class of ligand-activate transcription factors More particularly, the present invention relates to compounds useful as agonists for FXR, pharmaceutical formulations comprising such compounds, and therapeutic use of the same Novel isoxazole compounds are disclosed as part of pharmaceutical compositions for the treatment of a condition mediated by decreased FXR activity, such as obesity, diabetes, cholestatic liver disease, liver fibrosis, and metabolic syndrome

ANTI-VIRAL COMPOUNDS

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Page/Page column 126-127, (2010/11/27)

Compounds effective in inhibiting replication of Hepatitis C virus ("HCV") or other viruses are disclosed. This invention is also directed to compositions comprising such compounds, co-formulation or co-administration of such compounds with other anti-viral or therapeutic agents, processes and intermediates for the syntheses of such compounds, and methods of using such compounds for the treatment of HCV or other viral infections.

Ruthenium half-sandwich complexes as protein kinase inhibitors: Derivatization of the pyridocarbazole pharmacophore ligand

Pagano, Nicholas,Maksimoska, Jasna,Bregman, Howard,Williams, Douglas S.,Webster, Richard D.,Xue, Feng,Meggers, Eric

, p. 1218 - 1227 (2008/02/04)

A general route to ruthenium pyridocarbazole half-sandwich complexes is presented and applied to the synthesis of sixteen new compounds, many of which have modulated protein kinase inhibition properties. For example, the incorporation of a fluorine into t

Indole and dihydroindole derivatives

-

, (2008/06/13)

The present invention relates to indole derivatives, dihydroindole derivatives and pharmaceutically acceptable salts and/or pharmaceutically acceptable esters thereof. The compounds are useful for the treatment and/or prophylaxis of diseases which are associated with 2,3-oxidosqualene-lanosterol cyclase such as hypercholesterolemia, hyperlipemia, arteriosclerosis, vascular diseases, mycoses, gallstones, tumors and/or hyperproliferative disorders, and treatment and/or prophylaxis of impaired glucose tolerance and diabetes.

A novel class of inhibitors for human and rat steroid 5α-Reductases: Synthesis and biological evaluation of indoline and aniline derivatives. III

Igarashi,Inami,Hara,Koutoku,Oritani,Mase

, p. 1689 - 1697 (2007/10/03)

While searching for novel nonsteroidal inhibitors of human and rat prostatic 5α-reductases, we found a new series of indoline and aniline derivatives that showed potent inhibitory activities for both enzymes. Among them, 3-chloro-4-{[1-(4-phenoxybenzyl)in

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