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Benzenethiol, 2-bromo-5-methoxy-, is a chemical compound belonging to the class of thiol compounds, characterized by a benzene ring with a thiol group (-SH), a bromine atom at position 2, and a methoxy group (-OCH3) at position 5. It has potential applications in organic synthesis and medicinal chemistry, but requires careful handling due to its potential toxicity and reactivity.

13993-51-6

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13993-51-6 Usage

Uses

Used in Organic Synthesis:
Benzenethiol, 2-bromo-5-methoxy-, is used as a starting material for the preparation of various pharmaceuticals and agrochemicals, contributing to the development of new compounds with therapeutic and agricultural properties.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, Benzenethiol, 2-bromo-5-methoxy-, serves as a valuable intermediate for the synthesis of bioactive molecules, potentially leading to the discovery of novel drugs with improved efficacy and safety profiles.
Used as a Reagent in Organic Chemical Reactions:
Benzenethiol, 2-bromo-5-methoxy-, is utilized as a reagent in various organic chemical reactions, facilitating the formation of desired products and enhancing the efficiency of synthetic processes.

Check Digit Verification of cas no

The CAS Registry Mumber 13993-51-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,9,9 and 3 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 13993-51:
(7*1)+(6*3)+(5*9)+(4*9)+(3*3)+(2*5)+(1*1)=126
126 % 10 = 6
So 13993-51-6 is a valid CAS Registry Number.

13993-51-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Bromo-5-methoxybenzenethiol

1.2 Other means of identification

Product number -
Other names 6-Brom-3-methoxy-thiophenol

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:13993-51-6 SDS

13993-51-6Relevant academic research and scientific papers

FUSED BENZENE DERIVATIVE AND USE

-

Page/Page column 45, (2010/02/12)

The present invention provides a compound represented by the general formula: [wherein Ring A represents an optionally substituted 5- to 8-membered ring, Ring B represents a further optionally substituted 4- to 10-membered ring, Ring C represents a further optionally substituted benzene ring, X1 represents carbon atom, X2 represents a carbon atom, an oxygen atom, etc., W represents a nitrogen atom, etc., Y11 represents a group represented by the formula CR2R3' (wherein R2 represents a hydrogen atom, a cyano group, a nitro group, etc., and R3' represents a hydrogen atom, a cyano group, a nitro group, etc., respectively), Y21 represents a group represented by the formula CR4R5' (wherein R4 represents a hydrogen atom, a cyano group, a nitro group, etc., and R5' represents a hydrogen atom, a cyano group, a nitro group, etc., respectively), etc., and R1 represents an electron-withdrawing group, respectively. The formula represents a single bond or a double bond] or a salt thereof, which is useful as an androgen receptor modulator.

An efficient synthesis of benzene fused six-, seven- and eight-membered rings containing nitrogen and sulfur by benzyne ring closure reaction

Mukherjee, Chandrani,Biehl, Ed

, p. 2309 - 2318 (2007/10/03)

3,4-Dihydro-2-H-benzo[1,4]thiazines (3a-c), 2,3,4,5-tetrahydro[b]-[1,4] thiazapines (3d-f) and 2,3,4,5-tetrahydro-2H-benzo[b][1,4]thiazocines (3g-i) were prepared by the cyclization of the respective 2-bromophenylsulfanyl derivatives of ethylamine (1a-c), propylamine (2d-f) and butylamine (2g-i).

A New Approach to Rapid Parallel Development of Four Neurokinin Antagonists. Part 4. Synthesis of ZD2249 Methoxy Sulfoxide

Bowden, Sharon A.,Nigel Burke,Gray, Fiona,McKown, Steven,Moseley, Jonathan D.,Moss, William O.,Murray, Paul M.,Welham, Matthew J.,Young, Maureen J.

, p. 33 - 44 (2013/09/04)

The manufacture of ZD2249 methoxy sulfoxide (1) using a new project approach is described. Research department processes were scaled up to 100 L if process safety and robustness were not compromised; other factors were treated according to the new approach. Using this strategy, we were able to manufacture a key intermediate on sufficient scale to support delivery of 1 kg quantities of bulk drug within 6 months of the start of lab work.

Design, synthesis, and SAR of tachykinin antagonists: Modulation of balance in NK1/NK2 receptor antagonist activity

Albert, Jeffrey S.,Andisik, Donald,Barthlow, Herbert,Bernstein, Peter R.,Bialecki, Russell A.,Dedinas, Robert,Dembofsky, Bruce T.,Hill, Daniel,Kirkland, Karin,Koether, Gerard M.,Kosmider, Benedict J.,Ohnmacht, Cyrus,Palmer, William,Potts, William,Rumsey, William,Shen, Lihong,Shenvi, Ashok,Sherwood, Scott,Aharony, David,Warwick, Paul J.,Russell, Keith

, p. 3972 - 3983 (2007/10/03)

Through optimization of compounds based on the dual NK1/NK2 antagonist ZD6021, it was found that alteration of two key regions could modulate the balance of NK1 and NK2 potency. Substitution of the 2-naphthalene position in analogues of ZD6021 resulted in increased NK1 potency and thus afforded NK1 preferential antagonists. Alterations of the piperidine region could then increase NK2 potency to restore dual NK1/NK2 selectivity. Through these efforts, three novel receptor antagonists from a single chemically related series were identified; two are dual NK1/NK2 antagonists, and the third is an NK1 preferential antagonist. In this paper, the factors affecting the balance of NK1 and NK2 selectivity in this series are discussed and the in vitro and in vivo properties of the novel antagonists are described.

2-Pyridinyl-phenyl-sulphinyl-and-phenyl-thio-benzimidazoles having antiflammatory or gastic acid secretion inhibition activity

-

, (2008/06/13)

Compounds of formula I, STR1 in which A is a 5 or 6 membered, fully unsaturated, carbocyclic or heterocyclic ring, B is a 5 or 6 membered, fully unsaturated, nitrogen containing heterocyclic ring, X is NR19, O or S, R19 is hydrogen or alkyl optionally substituted by --OCOR, n is 0 or 1, R3, R4, R5, R6, R7, R8, R9 and R10 have various significances, R1 and R2, are hydrogen or alkyl or together with the ring carbon atoms to which they are attached, form a benzene or pyridine ring, which ring carries substituents R15, R16, R17 and R18, R15, R16, R17 and R18, have various significances, with certain provisos are described. Processes for making the compounds and pharmaceutical formulations containing them, e.g. for the treatment of conditions including excess gastric acid secretion, are also described.

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