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METHYL 3,5-DIIODO-4-HYDROXYBENZOATE is a chemical compound that belongs to the class of benzoic acid esters. It is characterized by the presence of two iodine atoms at the 3 and 5 positions and a hydroxyl group at the 4 position on the benzene ring. METHYL 3,5-DIIODO-4-HYDROXYBENZOATE is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals due to its unique chemical properties.

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  • 3337-66-4 Structure
  • Basic information

    1. Product Name: METHYL 3,5-DIIODO-4-HYDROXYBENZOATE
    2. Synonyms: METHYL 3,5-DIIODO-4-HYDROXYBENZOATE;RARECHEM AL BF 1485;4-Hydroxy-3,5-diiodo-benzoic acid Methyl ester;Methyl 4-hydroxy-3,5-diiodobenzoate
    3. CAS NO:3337-66-4
    4. Molecular Formula: C8H6I2O3
    5. Molecular Weight: 403.94
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 3337-66-4.mol
  • Chemical Properties

    1. Melting Point: 167-168 °C
    2. Boiling Point: 328.257 °C at 760 mmHg
    3. Flash Point: 152.325 °C
    4. Appearance: /
    5. Density: 2.377 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.701
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: N/A
    10. PKA: 5.47±0.23(Predicted)
    11. CAS DataBase Reference: METHYL 3,5-DIIODO-4-HYDROXYBENZOATE(CAS DataBase Reference)
    12. NIST Chemistry Reference: METHYL 3,5-DIIODO-4-HYDROXYBENZOATE(3337-66-4)
    13. EPA Substance Registry System: METHYL 3,5-DIIODO-4-HYDROXYBENZOATE(3337-66-4)
  • 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: 3337-66-4(Hazardous Substances Data)

3337-66-4 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
METHYL 3,5-DIIODO-4-HYDROXYBENZOATE is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique chemical structure allows it to be a versatile building block for the development of new drugs and pesticides.
Used as Antifungal and Antibacterial Agent:
METHYL 3,5-DIIODO-4-HYDROXYBENZOATE is used as an antifungal and antibacterial agent due to its ability to inhibit the growth of various microorganisms. This property makes it suitable for use in the development of antimicrobial products, such as disinfectants and preservatives.
Used in Cosmetic and Personal Care Products:
METHYL 3,5-DIIODO-4-HYDROXYBENZOATE is utilized in the production of various cosmetic and personal care products, such as creams, lotions, and shampoos. Its antimicrobial properties contribute to the preservation and stability of these products, ensuring their safety and efficacy.
Used as a Reagent in Organic Synthesis:
METHYL 3,5-DIIODO-4-HYDROXYBENZOATE is an important reagent in organic synthesis, widely used in research laboratories for various chemical reactions and experiments. Its unique structure allows for the development of new synthetic pathways and the synthesis of novel compounds with potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 3337-66-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,3,3 and 7 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 3337-66:
(6*3)+(5*3)+(4*3)+(3*7)+(2*6)+(1*6)=84
84 % 10 = 4
So 3337-66-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H6I2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3

3337-66-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 4-hydroxy-3,5-diiodobenzoate

1.2 Other means of identification

Product number -
Other names METHYL 3,5-DIIODO-4-HYDROXYBENZOATE

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:3337-66-4 SDS

3337-66-4Relevant articles and documents

Design and construction of endo -functionalized multiferrocenyl hexagons via coordination-driven self-assembly and their electrochemistry

Chen, Li-Jun,Li, Quan-Jie,He, Jiuming,Tan, Hongwei,Abliz, Zeper,Yang, Hai-Bo

, p. 1148 - 1153 (2012)

The construction of a new family of endo-functionalized multiferrocenyl hexagons with various sizes via coordination-driven self-assembly is described. The structures of these novel metallacycles, containing several ferrocenyl moieties at their interior s

Bifunctional pillararene derivative ligand, metal organic cage and preparation method

-

Paragraph 0033; 0038; 0040, (2020/07/28)

The invention discloses a bifunctional pillararene derivative ligand, a metal organic cage and a preparation method. The pillararene derivative ligand has a structure shown as a formula (I); a pillararene and tetraphenyl ethylene with large steric hindran

Preparation method of amiodarone hydrochloride (by machine translation)

-

Paragraph 0077-0079, (2019/08/12)

The invention provides a preparation method, and relates to the technical field of drug synthesis, in particular to a preparation method of amiodarone hydrochloride. The invention uses methyl hydroxybenzoate as a main raw material, and sequentially undergoes a substitution reaction, etherification reaction, hydrolysis reaction, chloro reaction, a reaction, amination reaction and acidification, and the amiodarone hydrochloride. The preparation method provided by the invention does not need the process, reduces the use, reduces the environmental pollution, greatly reduces the environmental pollution and shortens the synthesis route while chlorination of 3, 5 - diiod -4 - (2 -hydroxyethoxy) - benzoic acid by using the thionyl chloride is reduced, and the synthetic route. The preparation method provided by the invention is simple in process, low in cost, small in pollution and high in yield. (by machine translation)

Efficient and sustainable laccase-catalyzed iodination of: P -substituted phenols using KI as iodine source and aerial O2 as oxidant

Sdahl, Mark,Conrad, Jürgen,Braunberger, Christina,Beifuss, Uwe

, p. 19549 - 19559 (2019/07/05)

The laccase-catalyzed iodination of p-hydroxyarylcarbonyl- and p-hydroxyarylcarboxylic acid derivatives using KI as iodine source and aerial oxygen as the oxidant delivers the corresponding iodophenols in a highly efficient and sustainable manner with yields up to 93% on a preparative scale under mild reaction conditions.

Method for synthesizing amiodarone impurity G and application of amiodarone impurity G

-

Paragraph 0054-0058, (2017/07/07)

The invention provides a method for synthesizing an amiodarone impurity G and application of the amiodarone impurity G, and relates to the technical field of chemical synthesis. According to the method for synthesizing the amiodarone impurity G, the amiod

Xanthine oxidase inhibitor and application thereof

-

Paragraph 0097; 0098, (2017/08/26)

The invention discloses a xanthine oxidase inhibitor and application thereof. The xanthine oxidase inhibitor is a compound shown as a general formula (I) and is a pharmaceutically acceptable salt. The xanthine oxidase inhibitor, which is the compound and

IMPROVED PROCESSES FOR THE PREPARATION OF SOFOSBUVIR AND INTERMEDIATES THEREOF

-

Paragraph 00133, (2016/12/22)

The present disclosure provides new procedures and intermediates for the preparation of Sofosbuvir.

Generation of 3-borylbenzynes, their regioselective Diels-Alder reactions, and theoretical analysis

Takagi, Akira,Ikawa, Takashi,Kurita, Yurio,Saito, Kozumo,Azechi, Kenji,Egi, Masahiro,Itoh, Yuji,Tokiwa, Hiroaki,Kita, Yasuyuki,Akai, Shuji

supporting information, p. 4338 - 4352 (2013/06/04)

3-Borylbenzynes were generated in situ from 6-boryl-2-iodophenyl trifluoromethanesulfonates using i-PrMgCl·LiCl and applied to Diels-Alder reactions with substituted furans and pyrroles. The reactions allowed good functional group compatibility and produced the cycloadducts in high yields with high distal selectivities. Effective conversion of the boryl group of the products was achieved. A series of these reactions provides a new method for producing multifunctionalized benzo-fused aromatic compounds. Additionally, the regioselectivities of these Diels-Alder reactions were theoretically analyzed by DFT calculations to find that the reactions were mainly controlled by the electrostatic effect and aryne distortion caused by the boryl group.

Regiocomplementary cycloaddition reactions of boryl- and silylbenzynes with 1,3-dipoles: Selective synthesis of benzo-fused azole derivatives

Ikawa, Takashi,Takagi, Akira,Goto, Masahiko,Aoyama, Yuya,Ishikawa, Yoshinobu,Itoh, Yuji,Fujii, Satoshi,Tokiwa, Hiroaki,Akai, Shuji

, p. 2965 - 2983 (2013/06/26)

Benzo-fused nitrogen-containing heterocycles are abundant in biologically active compounds. One of the most important methods for preparing such heterocycles is the (3 + 2) cycloaddition reaction of benzynes with 1,3-dipolar compounds. However, the reacti

Preparation and regioselective Diels-Alder reactions of borylbenzynes: Synthesis of functionalized arylboronates

Ikawa, Takashi,Takagi, Akira,Kurita, Yurio,Saito, Kozumo,Azechi, Kenji,Egi, Masahiro,Kakiguchi, Keisuke,Kita, Yasuyuki,Akai, Shuji

supporting information; experimental part, p. 5563 - 5566 (2010/09/05)

(Figure Presented) B+ [4+2]: 3-Borylbenzynes undergo Diels-Alder reactions with substituted furans and pyrroles to give highly functionalized arylboronic acid derivatives with either good or exclusive regioselectivities (see picture). The effect of the boryl group on the regioselectivity arises from electronic rather than steric effects.

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