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tert-Butyl 4-iodobenzoate is a 4-iodo substituted benzoic acid derivative that serves as a versatile building block in the synthesis of various biologically active compounds.

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  • 120363-13-5 Structure
  • Basic information

    1. Product Name: tert-Butyl 4-iodobenzoate
    2. Synonyms: 4-Iodobenzoic acid tert-butyl ester;tert-Butyl 4-iodobenzoate;Benzoic acid, 4-iodo-, 1,1-diMethylethyl ester;4-iodo-tert-butyl benzoate;1,1-DiMethylethyl 4-iodobenzoate;4-Iodobenzoic Acid 1,1-DiMethylethyl Ester;tert-Butyl p-Iodobenzoate
    3. CAS NO:120363-13-5
    4. Molecular Formula: C11H13IO2
    5. Molecular Weight: 304
    6. EINECS: 1312995-182-4
    7. Product Categories: Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals
    8. Mol File: 120363-13-5.mol
  • Chemical Properties

    1. Melting Point: 107-110 °C(Solv: hexane (110-54-3))
    2. Boiling Point: 310.2±25.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.528±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C(protect from light)
    8. Solubility: DMSO, Methanol
    9. CAS DataBase Reference: tert-Butyl 4-iodobenzoate(CAS DataBase Reference)
    10. NIST Chemistry Reference: tert-Butyl 4-iodobenzoate(120363-13-5)
    11. EPA Substance Registry System: tert-Butyl 4-iodobenzoate(120363-13-5)
  • 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: 120363-13-5(Hazardous Substances Data)

120363-13-5 Usage

Uses

Used in Pharmaceutical Industry:
tert-Butyl 4-iodobenzoate is used as a key intermediate for the synthesis of biologically active compounds, such as pharmaceuticals and agrochemicals, due to its unique chemical properties and reactivity.
Used in Organic Synthesis:
tert-Butyl 4-iodobenzoate is used as a starting material for the preparation of various organic compounds, including fine chemicals and specialty chemicals, owing to its potential for further functionalization and modification.
Used in Medicinal Chemistry:
tert-Butyl 4-iodobenzoate is employed as a building block in the design and synthesis of novel drug candidates, targeting a wide range of therapeutic areas, such as oncology, neurology, and infectious diseases, due to its ability to modulate biological activities and interactions with target proteins.

Check Digit Verification of cas no

The CAS Registry Mumber 120363-13-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,0,3,6 and 3 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 120363-13:
(8*1)+(7*2)+(6*0)+(5*3)+(4*6)+(3*3)+(2*1)+(1*3)=75
75 % 10 = 5
So 120363-13-5 is a valid CAS Registry Number.

120363-13-5SDS

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 tert-Butyl 4-Iodobenzoate

1.2 Other means of identification

Product number -
Other names tert-Butyl 4-iodobenzoate

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:120363-13-5 SDS

120363-13-5Relevant articles and documents

CBTF: New amine-to-thiol coupling reagent for preparation of antibody conjugates with increased plasma stability

Kolodych, Sergii,Koniev, Oleksandr,Baatarkhuu, Zoljargal,Bonnefoy, Jean-Yves,Debaene, Fran?ois,Cianférani, Sarah,Van Dorsselaer, Alain,Wagner, Alain

, p. 197 - 200 (2015)

Amine-to-thiol coupling is the most common route for the preparation of antibody-drug conjugates (ADC). It is usually achieved by using heterobifunctional reagents possessing an activated ester at one end and a maleimide group at the other. However, malei

Development of High-Performance Pyrimidine Nucleoside and Oligonucleotide Diarylethene Photoswitches

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supporting information, p. 8164 - 8173 (2021/03/08)

Nucleosidic and oligonucleotidic diarylethenes (DAEs) are an emerging class of photochromes with high application potential. However, their further development is hampered by the poor understanding of how the chemical structure modulates the photochromic properties. Here we synthesized 26 systematically varied deoxyuridine- and deoxycytidine-derived DAEs and analyzed reaction quantum yields, composition of the photostationary states, thermal and photochemical stability, and reversibility. This analysis identified two high-performance photoswitches with near-quantitative, fully reversible back-and-forth switching and no detectable thermal or photochemical deterioration. When incorporated into an oligonucleotide with the sequence of a promotor, the nucleotides maintained their photochromism and allowed the modulation of the transcription activity of T7 RNA polymerase with an up to 2.4-fold turn-off factor, demonstrating the potential for optochemical control of biological processes.

A New Class of Rigid Multi(azobenzene) Switches Featuring Electronic Decoupling: Unravelling the Isomerization in Individual Photochromes

Galanti, Agostino,Santoro, Jasmin,Mannancherry, Rajesh,Duez, Quentin,Diez-Cabanes, Valentin,Valá?ek, Michal,De Winter, Julien,Cornil, Jér?me,Gerbaux, Pascal,Mayor, Marcel,Samorì, Paolo

supporting information, p. 9273 - 9283 (2019/06/07)

We report a novel class of star-shaped multiazobenzene photoswitches comprising individual photochromes connected to a central trisubstituted 1,3,5-benzene core. The unique design of such C3-symmetric molecules, consisting of conformationally r

Electronic Decoupling in C3-Symmetrical Light-Responsive Tris(Azobenzene) Scaffolds: Self-Assembly and Multiphotochromism

Galanti, Agostino,Diez-Cabanes, Valentin,Santoro, Jasmin,Valá?ek, Michal,Minoia, Andrea,Mayor, Marcel,Cornil, Jér?me,Samorì, Paolo

, p. 16062 - 16070 (2018/11/23)

We report the synthesis of a novel C3-symmetrical multiphotochromic molecule bearing three azobenzene units at positions 1, 3, 5 of the central phenyl ring. The unique geometrical design of such a rigid scaffold enables the electronic decouplin

NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT

-

Paragraph 0116, (2018/06/07)

The present invention relates to a novel compound showing leukotriene B4 receptor 2 (BLT2) inhibitory activity and a pharmaceutical composition, for preventing or treating inflammatory diseases, comprising same as an active ingredient. The inventors identified a novel compound containing BTL2 inhibitory activity, and experimentally confirmed that the present novel compound had an excellent effect on the enhancement of the cancer cell death, on the inhibition of the metastasis and chemotactic mobility, and on the anti-asthma activity. Therefore, the present novel compound can be used as a very effective pharmaceutical component for treating the inflammatory-related diseases.

Metal-free radical aromatic carbonylations mediated by weak bases

Koziakov, Denis,Jacobi Von Wangelin, Axel

supporting information, p. 6715 - 6719 (2017/08/22)

We report a new method of metal-free alkoxycarbonylation. This reaction involves the generation of aryl radicals from arenediazonium salts by a very weak base (HCO2Na) under mild conditions. Subsequent radical trapping with carbon monoxide and alcohols gives alkyl benzoates. The conditions (metal-free, 1 equiv. base, MeCN, r.t., 3 h) tolerate various functional groups (I, Br, Cl, CF3, SF5, NO2, ester). Mechanistic studies indicate the operation of a radical aromatic substitution mechanism.

Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory

Wang, Timothy C.,Bury, Wojciech,Gómez-Gualdrón, Diego A.,Vermeulen, Nicolaas A.,Mondloch, Joseph E.,Deria, Pravas,Zhang, Kainan,Moghadam, Peyman Z.,Sarjeant, Amy A.,Snurr, Randall Q.,Stoddart, J. Fraser,Hupp, Joseph T.,Farha, Omar K.

, p. 3585 - 3591 (2015/03/30)

An isoreticular series of metal-organic frameworks (MOFs) with the ftw topology based on zirconium oxoclusters and tetracarboxylate linkers with a planar core (NU-1101 through NU-1104) has been synthesized employing a linker expansion approach. In this se

OXIME DERIVATIVE, METHOD OF PRODUCING THE SAME AND INSECTICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT

-

, (2018/10/03)

PROBLEM TO BE SOLVED: To provide a compound having excellent insecticidal effect and useful as an active ingredient of an insecticide. SOLUTION: This invention provides an oxime derivative represented by general formula (1) (where Ra, X and n represent definitions described in the specifications) and an insecticide that comprises the same as an active ingredient. COPYRIGHT: (C)2015,JPOandINPIT

A novel series of glucagon receptor antagonists with reduced molecular weight and lipophilicity

Filipski, Kevin J.,Bian, Jianwei,Ebner, David C.,Lee, Esther C.Y.,Li, Jian-Cheng,Sammons, Matthew F.,Wright, Stephen W.,Stevens, Benjamin D.,Didiuk, Mary T.,Tu, Meihua,Perreault, Christian,Brown, Janice,Atkinson, Karen,Tan, Beijing,Salatto, Christopher T.,Litchfield, John,Pfefferkorn, Jeffrey A.,Guzman-Perez, Angel

scheme or table, p. 415 - 420 (2012/02/16)

A novel series of glucagon receptor antagonists has been discovered. These pyrazole ethers and aminopyrazoles have lower molecular weight and increased polarity such that the molecules fall into better drug-like property space. This work has culminated in

INSULIN DERIVATIVE

-

Page/Page column 90, (2008/06/13)

The present invention relates to novel human insulin derivatives which are soluble at physiological pH values and have a prolonged profile of action. The invention also relates to methods of providing such derivatives, to pharmaceutical compositions containing them, to methods of treating diabetes and hyperglycaemia using the insulin derivatives of the invention and to the use of such insulin derivatives in the treatment of diabetes and hyperglycaemia.

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