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2-Bromo-3-methyl-indole-1-carboxylic acid tert-butyl ester is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 196713-98-1 Structure
  • Basic information

    1. Product Name: 2-Bromo-3-methyl-indole-1-carboxylic acid tert-butyl ester
    2. Synonyms: 1-(tert-Butyloxycarbonyl)-2-bromo-3-methylindole;2-Bromo-3-methyl-indole-1-carboxylic acid tert-butyl ester;N-Boc-2-bromo-3-methylindole
    3. CAS NO:196713-98-1
    4. Molecular Formula: C14H16BrNO2
    5. Molecular Weight: 310.18634
    6. EINECS: N/A
    7. Product Categories: Building Blocks;C11 to C27;C13 to C27;Chemical Synthesis;Halogenated Heterocycles;Heterocyclic Building Blocks;Indoles;New Products for Chemical Synthesis
    8. Mol File: 196713-98-1.mol
  • Chemical Properties

    1. Melting Point: 160-170℃
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-Bromo-3-methyl-indole-1-carboxylic acid tert-butyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-Bromo-3-methyl-indole-1-carboxylic acid tert-butyl ester(196713-98-1)
    11. EPA Substance Registry System: 2-Bromo-3-methyl-indole-1-carboxylic acid tert-butyl ester(196713-98-1)
  • Safety Data

    1. Hazard Codes: T,N
    2. Statements: 25-50/53
    3. Safety Statements: 45-60-61
    4. RIDADR: UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s.,
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 196713-98-1(Hazardous Substances Data)

196713-98-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 196713-98-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,6,7,1 and 3 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 196713-98:
(8*1)+(7*9)+(6*6)+(5*7)+(4*1)+(3*3)+(2*9)+(1*8)=181
181 % 10 = 1
So 196713-98-1 is a valid CAS Registry Number.

196713-98-1 Well-known Company Product Price

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  • (Code)Product description
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  • Aldrich

  • (740101)  N-Boc-2-bromo-3-methylindole  97%

  • 196713-98-1

  • 740101-1G

  • 890.37CNY

  • Detail

196713-98-1Relevant articles and documents

Structure-Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1

McGrath, Sally,Tortorici, Marcello,Drouin, Ludovic,Solanki, Savade,Vidler, Lewis,Westwood, Isaac,Gimeson, Peter,Van Montfort, Rob,Hoelder, Swen

supporting information, p. 9577 - 9584 (2017/07/22)

TLE1 is an oncogenic transcriptional co-repressor that exerts its repressive effects through binding of transcription factors. Inhibition of this protein–protein interaction represents a putative cancer target, but no small-molecule inhibitors have been published for this challenging interface. Herein, the structure-enabled design and synthesis of a constrained peptide inhibitor of TLE1 is reported. The design features the introduction of a four-carbon-atom linker into the peptide epitope found in many TLE1 binding partners. A concise synthetic route to a proof-of-concept peptide, cycFWRPW, has been developed. Biophysical testing by isothermal titration calorimetry and thermal shift assays showed that, although the constrained peptide bound potently, it had an approximately five-fold higher Kd than that of the unconstrained peptide. The co-crystal structure suggested that the reduced affinity was likely to be due to a small shift of one side chain, relative to the otherwise well-conserved conformation of the acyclic peptide. This work describes a constrained peptide inhibitor that may serve as the basis for improved inhibitors.

Regiospecific Bromination of 3-Methylindoles with NBS and Its Application to the Concise Synthesis of Optically Active Unusual Tryptophans Present in Marine Cyclic Peptides

Liu, Ruiyan,Zhang, Puwen,Gan, Tong,Cook, James M.

, p. 7447 - 7456 (2007/10/03)

A regiospecific bromination of substituted 3-methylindoles at either the C(3) alkyl moiety or the C(2) position was achieved via a free radical bromination or electrophilic process, respectively. The regiospecificity of the bromination could be controlled by variation of both the substituent and the N(1) protecting group on the indole ring. In addition, enantiospecific syntheses of 5-methoxytryptophan (20) and 5-hydroxy-6-chlorotryptophan (21c) as well as concise syntheses of optically active 2-bromotryptophan ethyl esters 26a,b or their substituted derivatives in three steps from bifunctional dibromoindoles were achieved via the above regiospecific process.

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