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5-Bromotetralone is a synthetic intermediate useful for pharmaceutical synthesis.

68449-30-9

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68449-30-9 Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 49, p. 4226, 1984 DOI: 10.1021/jo00196a024

Check Digit Verification of cas no

The CAS Registry Mumber 68449-30-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,8,4,4 and 9 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 68449-30:
(7*6)+(6*8)+(5*4)+(4*4)+(3*9)+(2*3)+(1*0)=159
159 % 10 = 9
So 68449-30-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H9BrO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5H,2-3,6H2

68449-30-9SDS

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 5-Bromo-3,4-dihydronaphthalen-1(2H)-one

1.2 Other means of identification

Product number -
Other names 5-Bromo-1-tetralone

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:68449-30-9 SDS

68449-30-9Relevant academic research and scientific papers

Synthesis of multisubstituted cycloalkenes through carbomagnesiation of strained cycloalkynes

Hosoya, Takamitsu,Karaki, Fumika,Minami, Yasunori,Nishiyama, Yoshitake,Sakata, Yuki,Tamura, Yuya,Yoshida, Suguru

supporting information, p. 7147 - 7150 (2020/07/21)

An efficient synthetic method of seven- and six-membered cycloalkenes through the generation of strained cycloalkynes and following carbomagnesiation is described. Further bond formations of the resulting cycloalkenylmagnesium intermediates with a wide variety of electrophiles enabled us to prepare diverse cycloalkene derivatives including benzoxepine analogs having a fully substituted alkene structure.

Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates

Ning, Yingtang,Fukuda, Tomoya,Ikeda, Hirotaka,Otani, Yuko,Kawahata, Masatoshi,Yamaguchi, Kentaro,Ohwada, Tomohiko

supporting information, p. 1381 - 1392 (2017/02/15)

Neighboring group participation is defined as the action of a substituent to stabilize a transition state or an intermediate by forming a bond or a partial bond with the reaction center. In addition to the primary interaction with the nearest neighboring group, secondary interactions involving another neighboring group(s) could also occur in principle. Here, we revisit this issue by examining the influence of secondary interactions on the stability and reactivity of the putative iminylium cation intermediates, formed by N-O bond cleavage of 1-tetralone oxime systems. A direct observation of a peri-bromo-iminylium intermediate in solution supported the involvement of iminylium cations and the stabilizing effect of secondary interactions arising from a distal tandem substituent. Both experimental and computational findings support the idea that secondary interactions of a tandem-neighboring group on the primary peri-heteroatom (Br, Cl, and O(Me))-iminylium bonding interaction, i.e., a weak halogen bonding interaction (ester (nitro) oxygen-halogen bonding) and an unprecedented hydrogen bonding interaction between a nitro oxygen atom and a CH3O hydrogen atom, are crucial determinants of the reaction pathway, leading to either overwhelmingly selective syn-migration of the oxime functionality or covalent bond formation under acid-catalyzed Beckmann rearrangement conditions.

Design, synthesis, and biochemical evaluation of novel cruzain inhibitors with potential application in the treatment of Chagas' disease

Siles, Rogelio,Chen, Shen-En,Zhou, Ming,Pinney, Kevin G.,Trawick, Mary Lynn

, p. 4405 - 4409 (2007/10/03)

A series of compounds bearing tetrahydronaphthalene, benzophenone, propiophenone, and related rigid molecular skeletons functionalized with thiosemicarbazone or unsaturated carbonyl moieties were prepared by chemical synthesis and evaluated for their ability to inhibit the enzyme cruzain. As potential treatment agents for Chagas' disease, three compounds from the group demonstrate potent inhibition of cruzain with IC50 values of 17, 24, and 80 nM, respectively.

METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS

-

Page/Page column 175, (2010/02/14)

The invention relates to novel compounds and methods of treating diseases, disorders, and conditions associated with amyloidosis. Amyloidosis refers to a collection of diseases, disorders, and conditions associated with abnormal deposition of A-beta protein.

2-AMINO- AND 2-THIO-SUBSTITUTED 1,3-DIAMINOPROPANES

-

Page/Page column 110-111, (2008/06/13)

Disclosed are compounds of the formula: where variables Q, Z, X, R15, R2, R3, and Rc are defined herein. Compounds disclosed herein are inhibitors of the beta-secretase enzyme and are therefore useful in the treatment of Alzheimer’s disease and other diseases characterized by deposition of A beta peptide in a mammal.

5-Amidinobenzo[b]thiophenes as dual inhibitors of factors IXa and Xa

Qiao, Jennifer X.,Cheng, Xuhong,Modi, Dilip P.,Rossi, Karen A.,Luettgen, Joseph M.,Knabb, Robert M.,Jadhav, Prabhakar K.,Wexler, Ruth R.

, p. 29 - 35 (2007/10/03)

Syntheses and SAR studies of 5-amidinobenzo[b]thiophene analogs provided compounds with low submicromolar factor IXa potency and equal or slightly better selectivity relative to factor Xa. Syntheses and SAR studies of 5-amidinobenzo[b]thiophene analogs provided compounds with low submicromolar factor IXa activity and equal or slightly better selectivity relative to factor Xa.

BENZAMIDE 2-HYDROXY-3-DIAMINOALKANES

-

Page 63-64, (2010/02/09)

The present invention relates to compounds of formula (I) useful in treating Alzheimer's disease and other similar diseases. These compounds include inhibitors of the beta-secretase enzyme that are useful in the treatment of Alzheimer's disease and other diseases characterized by deposition of A beta peptide in a mammal. The compounds of the invention are also useful in pharmaceutical compositions and methods of treatment to reduce A beta peptide formation.

PHENACYL 2-HYDROXY-3-DIAMINOALKANES

-

Page 63-64, (2010/02/09)

The present invention relates to compounds of formula (I): useful in treating Alzheimer’s disease and other similar diseases. These compounds include inhibitors of the beta-secretase enzyme that are useful in the treatment of Alzheimer’s disease and other diseases characterized by deposition of A beta peptide in a mammal. The compounds of the invention are also useful in pharmaceutical compositions and methods of treatment to reduce A beta peptide formation.

Indole derivatives for the treatment of depression and anxiety

-

Page/Page column 13-14, (2010/02/05)

The present invention provides compounds of formula (I): which are useful for treating depression, anxiety, and alleviating the symptoms caused by withdrawal or partial withdrawal from the use of tobacco or of nicotine.

Benzofuran derivatives

-

Page 12, (2010/02/06)

The present invention provides compounds of formula (I) which are useful for treating depression, anxiety, and alleviating the symptoms caused by withdrawal or partial withdrawal from the use of tobacco or of nicotine.

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