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2-Bromo-N-(tert-butyl)benzenesulphonamide is an organic compound characterized by a benzene ring with a bromine atom and a tert-butyl group attached to a sulphonamide functional group. It is recognized for its versatility in chemical reactions and its utility in the synthesis of a variety of compounds, including pharmaceuticals and agrochemicals.

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  • 138733-50-3 Structure
  • Basic information

    1. Product Name: 2-Bromo-N-(tert-butyl)benzenesulphonamide
    2. Synonyms: 2-Bromo-N-(tert-butyl)benzenesulphonamide;2-Bromo-N-tert-butylbenzenesulfonamide;N-t-Butyl 2-bromobenzenesulfonamide;2-BROMO-N-(1,1-DIMETHYLETHYL)BENZENESULFONAMIDE
    3. CAS NO:138733-50-3
    4. Molecular Formula: C10H14BrNO2S
    5. Molecular Weight: 292.2
    6. EINECS: N/A
    7. Product Categories: blocks;Bromides;Sulfonamides
    8. Mol File: 138733-50-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 364.5°Cat760mmHg
    3. Flash Point: 174.2°C
    4. Appearance: /
    5. Density: 1.419g/cm3
    6. Vapor Pressure: 1.68E-05mmHg at 25°C
    7. Refractive Index: 1.549
    8. Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 11.58±0.50(Predicted)
    11. CAS DataBase Reference: 2-Bromo-N-(tert-butyl)benzenesulphonamide(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-Bromo-N-(tert-butyl)benzenesulphonamide(138733-50-3)
    13. EPA Substance Registry System: 2-Bromo-N-(tert-butyl)benzenesulphonamide(138733-50-3)
  • Safety Data

    1. Hazard Codes: Xi
    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: 138733-50-3(Hazardous Substances Data)

138733-50-3 Usage

Uses

Used in Chemical Synthesis:
2-Bromo-N-(tert-butyl)benzenesulphonamide is used as a reagent for facilitating nucleophilic substitution reactions, which are crucial for the formation of new chemical bonds in organic chemistry.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-Bromo-N-(tert-butyl)benzenesulphonamide is used as a starting material for the synthesis of various drugs. Its unique structure allows for the creation of a wide range of medicinal compounds with potential therapeutic applications.
Used in Agrochemical Industry:
Similarly, in the agrochemical industry, this compound serves as a precursor in the production of pesticides, contributing to the development of effective solutions for pest control in agriculture.
Used as an Enzyme Inhibitor in Research:
2-Bromo-N-(tert-butyl)benzenesulphonamide is also utilized as a selective inhibitor of specific enzymes in biochemical and molecular biology research. This property is valuable for studying enzyme functions and for developing targeted therapies.
Overall, 2-Bromo-N-(tert-butyl)benzenesulphonamide is a significant and adaptable chemical entity with extensive applications across different sectors, from chemical synthesis to pharmaceutical and agrochemical development, as well as in scientific research.

Check Digit Verification of cas no

The CAS Registry Mumber 138733-50-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,8,7,3 and 3 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 138733-50:
(8*1)+(7*3)+(6*8)+(5*7)+(4*3)+(3*3)+(2*5)+(1*0)=143
143 % 10 = 3
So 138733-50-3 is a valid CAS Registry Number.
InChI:InChI=1/C10H14BrNO2S/c1-10(2,3)12-15(13,14)9-7-5-4-6-8(9)11/h4-7,12H,1-3H3

138733-50-3SDS

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-Bromo-N-(tert-butyl)benzenesulfonamide

1.2 Other means of identification

Product number -
Other names 2-bromo-N-tert-butylbenzenesulfonamide

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:138733-50-3 SDS

138733-50-3Relevant articles and documents

Structurally Diverse Synthesis of Five-, Six-, and Seven-Membered Benzosultams through Electrochemical Cyclization

Liu, Aiyun,Guo, Tiantian,Zhang, Shuangshuang,Yang, Han,Zhang, Qi,Chai, Yonghai,Zhang, Shengyong

supporting information, p. 6326 - 6331 (2021/08/23)

We have developed a metal- and oxidant-free approach to structurally diverse synthesis of benzosultams from aryl sulfonamides through an electrochemical cyclization. Upon variation of the ortho substituent on aryl sulfonamides, five-, six-, and seven-memb

Palladium-catalyzed C-C coupling of aryl halides with isocyanides: An alternative method for the stereoselective synthesis of (3E)-(Imino)isoindolin- 1-ones and (3E)-(imino)thiaisoindoline 1,1-dioxides

Liu, Bifu,Li, Yibiao,Jiang, Huanfeng,Yin, Meizhou,Huang, Huawen

, p. 2288 - 2300 (2012/11/07)

A palladium-catalyzed, one-pot cyclization reaction to construct (3E)-(imino)isoindolin-1-ones and (3E)-(imino)thiaisoindoline 1,1-dioxides by introducing ortho-reactive functional groups on aryl halides is reported. Under optimal conditions, the cyclization reaction afforded the corresponding products in good to excellent yields (up to 93%) with high stereoselectivity. Notably, this transformation successfully extends its application for the synthesis of phenanthridines and dibenzooxazepines. This new synthetic protocol not only extends the application platform for palladium-catalyzed C-C coupling of aryl halides with isocyanides, but also opens atom-economic and step-economic synthetic routes for nitrogen-containing heterocyclic compounds with wide functional group compatibility. Copyright

DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS

-

Page/Page column 28, (2011/02/15)

In one aspect, the invention relates to compounds having the formula: wherein: Ar, Z, R3, R4 and R5 are as defined in the specification, or a pharmaceutically acceptable salt thereof. These compounds have AT1 re

DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS

-

Page/Page column 33, (2011/08/04)

In one aspect, the invention relates to compounds having the formula:wherein: Ar, Z, R3, R4 and R5 are as defined in the specification, or a pharmaceutically acceptable salt thereof. These compounds have AT1 receptor antagonist activity and neprilysin inhibition activity. In another aspect, the invention relates to pharmaceutical compositions comprising such compounds; methods of using such compounds; and process and intermediates for preparing such compounds.

Dual-acting antihypertensive agents

-

Page/Page column 43, (2008/12/07)

The invention is directed to compounds of formula I: wherein Ar, r, R3, X, and R5-7 are as defined in the specification, and pharmaceutically acceptable salts thereof. The compounds of formula I have AT1 receptor antagonist activity and neprilysin inhibition activity. The invention is also directed to pharmaceutical compositions comprising such compounds; methods of using such compounds; and a process and intermediates for preparing such compounds.

NOVEL ETHYLENEDIAMINE DERIVATIVES

-

Page/Page column 58-59, (2010/02/14)

A compound represented by the following formula (1):Q-Q-T-N(R)-Q-N(R)-T-Q [wherein, R1 and R2 are hydrogen atoms or the like; Q1 is a saturated or unsaturated, 5- or 6- membered cyclic hydrocarbon group which may have a substituent, or the like; Q2 is a single bond or the like; Q3 represents the following group: -C(R3a)(R4a)-{C(R3b)(R4b)}m1-{C(R3c)(R4c)}m2-{C(R3d)(R4d)}m3-{C(R3e)(R4e)}m4-C(R3f)(R4f)- (in which, R3a to R4e represent hydrogen or the like); T0 represents a carbonyl group or the like; and T1 represents -COCONR- or the like]; or salt thereof, solvate thereof, or N-oxide thereof. The compound is useful as a preventive and/or therapeutic agent for cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

1,2 DIAMIDO CYCLOALKYL SODIUM CHANNEL BLOCKERS

-

Page 47, (2010/11/30)

1,2 Diamido cycloalkyl compounds that are sodium channel blockers; pharmaceutical compositions that include an effective amount of the aryl-link-aryl thiazolidin-dione and aryl-link-aryl oxazolodine-dione compounds and a pharmaceutically acceptable carrier; and a method of treatment of acute pain, chronic pain, visceral pain, inflammatory pain, or neuropathic pain, as well as irritable bowel syndrome, Crohns disease, epilepsy, partial and generalized tonic seizures, multiple sclerosis, bipolar disease, and tachy-arrhythmias by the administration of an effective amount of aryl-link-aryl thiazolidine-dione and aryl-link-aryl oxazolodine-dione compounds, either alone, or in combination with one or more therapeutically active compounds, are described.

COMBINATION PRODUCT AND METHODS OF USE

-

, (2008/06/13)

A pharmaceutical composition is disclosed which is comprised of an E-type prostaglandin ligand and a COX-2 selective inhibiting compound, in combination with a pharmaceutically acceptable carrier. Methods of treatment are also disclosed wherein an E-type prostaglandin ligand and a COX-2 selective inhibiting compound are adminstered in an amount that is effective to treat or prevent an E-type prostaglandin and/or COX-2 mediated disease or condition.

Biphenylsulfonamide endothelin antagonists: Structure-activity relationships of a series of mono- and disubstituted analogues and pharmacology of the orally active endothelin antagonist 2'-amino-N-(3,4- dimethyl-5-isoxazolyl)-4'-(2-methylpropyl)[1,1'-biphenyl]-2-sulfonamide (BMS- 187308)

Murugesan, Natesan,Gu, Zhengxiang,Stein, Philip D.,Bisaha, Sharon,Spergel, Steve,Girotra, Ravi,Lee, Ving G.,Lloyd, John,Misra, Raj N.,Schmidt, Joan,Mathur, Arvind,Stratton, Leslie,Kelly, Yolanda F.,Bird, Eileen,Waldron, Tom,Liu, Eddie C.-K.,Zhang, Rongan,Lee, Helen,Serafino, Randy,Abboa-Offei, Benoni,Mathers, Parker,Giancarli, Mary,Seymour, Andrea Ann,Webb, Maria L.,Moreland, Suzanne,Barrish, Joel C.,Hunt, John T.

, p. 5198 - 5218 (2007/10/03)

Substitution at the ortho position of N-(3,4-dimethyl-5-isoxazolyl) benzenesulfonamide led to the identification of the biphenylsulfonamides as a novel series of endothelin-A (ETA) selective antagonists. Appropriate substitutions on the pendant phenyl ring led to improved binding as well as functional activity. A hydrophobic group such as isobutyl or isopropoxyl was found to be optimal at the 4'-position. Introduction of an amino group at the 2'-position also led to improved analogues. Combination of the optimal 4'- isobutyl substituent with the 2'-amino function afforded an analogue (20, BMS-187308) with improved ET(A) binding affinity and functional activity. Compound 20 also has good oral activity in inhibiting the pressor effect caused by an ET-1 infusion in rats. Doses of 10 and 30 μmol/kg iv 20 attenuated the pressor responses due to the administration of exogenous ET-1 to conscious monkeys, indicating that the compound inhibits the in vivo activity of endothelin-1 in nonhuman primates.

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