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Methyl 4-iodo-3-indolecarboxylate, with the molecular formula C11H8INO2, is a chemical compound derived from indole, a heterocyclic aromatic organic compound. It is a methyl ester of 4-iodo-3-indolecarboxylic acid and is recognized for its potential in creating complex molecules with significant biological activities. This versatile compound is highly valued in the field of organic chemistry, particularly for its applications in pharmaceutical and agrochemical synthesis.

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  • 101909-44-8 Structure
  • Basic information

    1. Product Name: METHYL 4-IODO-3-INDOLECARBOXYLATE
    2. Synonyms: METHYL 4-IODO-3-INDOLECARBOXYLATE;4-Iodo-1H-indole-3-carboxylic acid methyl ester;4-Iodo-1H-indole-3-Carbocylic acid methyl ester
    3. CAS NO:101909-44-8
    4. Molecular Formula: C10H8INO2
    5. Molecular Weight: 301.08
    6. EINECS: N/A
    7. Product Categories: pharmacetical
    8. Mol File: 101909-44-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 408°Cat760mmHg
    3. Flash Point: 200.6°C
    4. Appearance: /
    5. Density: 1.86g/cm3
    6. Vapor Pressure: 7.22E-07mmHg at 25°C
    7. Refractive Index: 1.709
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: METHYL 4-IODO-3-INDOLECARBOXYLATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL 4-IODO-3-INDOLECARBOXYLATE(101909-44-8)
    12. EPA Substance Registry System: METHYL 4-IODO-3-INDOLECARBOXYLATE(101909-44-8)
  • 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: 101909-44-8(Hazardous Substances Data)

101909-44-8 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 4-iodo-3-indolecarboxylate is used as a building block for the synthesis of various pharmaceuticals, particularly in the development of potential anti-cancer drugs. Its role in creating complex molecules with important biological activities makes it a crucial component in the formulation of new and effective treatments.
Used in Agrochemical Industry:
In the agrochemical sector, Methyl 4-iodo-3-indolecarboxylate is employed as an intermediate in the production of biologically active molecules. Its versatility in organic chemistry allows for the creation of compounds that can be used in the development of pesticides, herbicides, and other agrochemical products, contributing to advancements in agricultural practices and crop protection.
Used in Organic Chemistry Research:
Methyl 4-iodo-3-indolecarboxylate is also utilized as a valuable compound in the field of organic chemistry research. Its potential for creating complex molecules with significant biological activities makes it an essential tool for scientists exploring new chemical pathways and developing innovative compounds with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 101909-44-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,1,9,0 and 9 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 101909-44:
(8*1)+(7*0)+(6*1)+(5*9)+(4*0)+(3*9)+(2*4)+(1*4)=98
98 % 10 = 8
So 101909-44-8 is a valid CAS Registry Number.
InChI:InChI=1/C10H8INO2/c1-14-10(13)6-5-12-8-4-2-3-7(11)9(6)8/h2-5,12H,1H3

101909-44-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 4-iodo-1H-indole-3-carboxylate

1.2 Other means of identification

Product number -
Other names 4-iodo-indole-3-carboxylic acid methyl ester

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:101909-44-8 SDS

101909-44-8Relevant articles and documents

KDR inhibitor with the intramolecular non-bonded interaction: Conformation-activity relationships of novel indole-3-carboxamide derivatives

Honda, Takahiro,Nagahara, Hironori,Mogi, Hiroyuki,Ban, Masakazu,Aono, Hiroyuki

supporting information; experimental part, p. 1782 - 1785 (2011/05/05)

We previously reported that compound 1, having a similar conformation to PTK787 (2) by forming a pseudo ring structure with an intramolecular non-bonded S-O interaction, exhibited a potent inhibitory activity against VEGFR2 tyrosine kinase (KDR).1/s

Enantioselective synthesis of (-)-cis-clavicipitic acid

Ku, Jin-Mo,Jeong, Byeong-Seon,Jew, Sang-Sup,Park, Hyeung-Geun

, p. 8115 - 8118 (2008/02/12)

(Chemical Equation Presented) An enantioselective synthetic method for (-)-cis-clavicipitic acid (1) was reported. 1 was obtained in 10 steps (99% ee and 20% overall yield) from 1H-indole-3-carboxylic acid methyl ester (9) via asymmetric phase-transfer ca

A New Synthesis of Lysergic Acid

Hendrickson, James B.,Wang, Jian

, p. 3 - 5 (2007/10/03)

(Equation presented) (±)-Lysergic acid (1) has been synthesized via an economical 8-step route from 4-bromoindole and isocinchomeronic acid without the need to protect the indole during the synthesis. Initial efforts to form the simpler 3-acylindole derivatives first and then cyclize these were unsuccessful in the cyclization step.

A CONVENIENT SYNTHETIC APPROACH TO 4-SUBSTITUTED INDOLES

Yamada, Fumio,Somei, Masanori

, p. 1173 - 1176 (2007/10/02)

A simple and practical synthetic method for 4-halogenoindoles, 4-indolecarbaldehyde, 4-cyanoindole, and 4-methoxycarbonylindole is elaborated.

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