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7-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one is a synthetic chemical compound with the molecular formula C8H5BrO2. It is characterized by its unique structure, featuring a brominated oxepin ring, which makes it a valuable intermediate in the production of various chemical compounds with potential medicinal applications. 7-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE is also known for its potential biological activities, such as antifungal and antiviral properties, and serves as a versatile building block in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals.

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  • 55580-08-0 Structure
  • Basic information

    1. Product Name: 7-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE
    2. Synonyms: 7-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE;7-BROMO-3,4-DIHYDROBENZO[B]OXEPIN-5(2H)-ONE;7-BROMO-3,4-DIHYDRO-1-BENZOXEPIN-5(2H)-ONE;7-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)
    3. CAS NO:55580-08-0
    4. Molecular Formula: C10H9BrO2
    5. Molecular Weight: 241.08
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 55580-08-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 349.005 °C at 760 mmHg
    3. Flash Point: 164.872 °C
    4. Appearance: /
    5. Density: 1.528 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 7-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 7-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE(55580-08-0)
    11. EPA Substance Registry System: 7-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE(55580-08-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 52
    3. Safety Statements: N/A
    4. RIDADR: UN 3082 9 / PGIII
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 55580-08-0(Hazardous Substances Data)

55580-08-0 Usage

Uses

Used in Pharmaceutical Industry:
7-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one is used as a synthetic building block for the preparation of pharmaceuticals. Its unique structure and bromine substituent allow for further functionalization and modification, making it a useful tool in drug discovery and development.
Used in Agrochemical Industry:
In the agrochemical industry, 7-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one is used as a precursor in the synthesis of agrochemicals. Its potential biological activities, such as antifungal and antiviral properties, contribute to the development of effective compounds for agricultural applications.
Used in Organic Chemistry Research:
7-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one is utilized as a valuable intermediate in organic chemistry research. Its unique structure and bromine substituent make it a versatile compound for exploring new synthetic pathways and developing novel chemical compounds with potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 55580-08-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,5,5,8 and 0 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 55580-08:
(7*5)+(6*5)+(5*5)+(4*8)+(3*0)+(2*0)+(1*8)=130
130 % 10 = 0
So 55580-08-0 is a valid CAS Registry Number.

55580-08-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 7-bromo-3,4-dihydro-2H-1-benzoxepin-5-one

1.2 Other means of identification

Product number -
Other names 7-bromo-2,3,4,5-tetrahydrobenzoxepin-5-one

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:55580-08-0 SDS

55580-08-0Relevant articles and documents

Structure-based design of tricyclic NF-κB inducing kinase (NIK) inhibitors that have high selectivity over phosphoinositide-3-kinase (PI3K)

Castanedo, Georgette M.,Blaquiere, Nicole,Beresini, Maureen,Bravo, Brandon,Brightbill, Hans,Chen, Jacob,Cui, Hai-Feng,Eigenbrot, Charles,Everett, Christine,Feng, Jianwen,Godemann, Robert,Gogol, Emily,Hymowitz, Sarah,Johnson, Adam,Kayagaki, Nobuhiko,Kohli, Pawan Bir,Knüppel, Kathleen,Kraemer, Joachim,Krüger, Susan,Loke, Pui,McEwan, Paul,Montalbetti, Christian,Roberts, David A.,Smith, Myron,Steinbacher, Stefan,Sujatha-Bhaskar, Swathi,Takahashi, Ryan,Wang, Xiaolu,Wu, Lawren C.,Zhang, Yamin,Staben, Steven T.

, p. 627 - 640 (2017/02/05)

We report here structure-guided optimization of a novel series of NF-κB inducing kinase (NIK) inhibitors. Starting from a modestly potent, low molecular weight lead, activity was improved by designing a type 11/2 binding mode that accessed a back pocket past the methionine-471 gatekeeper. Divergent binding modes in NIK and PI3K were exploited to dampen PI3K inhibition while maintaining NIK inhibition within these series. Potent compounds were discovered that selectively inhibit the nuclear translocation of NF-κB2 (p52/REL-B) but not canonical NF-κB1 (REL-A/p50).

SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS

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Page/Page column 151, (2016/02/29)

The present description relates to substituted polycyclic compounds of Formula (I), Formula (II) or Formula (III): wherein the dashed line represents an optional double bond and Rl, R2, R4, R5, R7, X and Z are as defined herein, and forms and compositions thereof, and also relates to uses of a compound of Formula (I), Formula (II) or Formula (III) or a form thereof and methods for treating or ameliorating Neisseria gonorrhoeae (N. gonorrhoeae) in a subject in need thereof comprising, administering an effective amount of the compound to the subject.

TRICYCLIC COMPOUNDS AS INHIBITORS FOR THE PRODUCTION OF BETA-AMYLOID

-

, (2012/12/13)

Compounds of formula (I), including pharmaceutically acceptable salts thereof, are set forth herein: formula (I), wherein X is selected from the group of CH2, O, and NR2; m = 0 or 1; R1 at each instance is selected from th

BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE

-

, (2011/04/19)

Benzoxepin compounds of Formula I, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, wherein: Z1 is CR1 or N; Z2 is CR2 or N; Z3 is CR3 or N; Z4 is CR4 or N; and where (i) X1 is N and X2 is S, (ii) X1 is S and X2 is N, (iii) X1 is CR7 and X2 is S, (iv) X1 is S and X2 is CR7; (v) X1 is NR8 and X2 is N, (vi) X1 is N and X2 is NR8, (vii) X1 is CR7 and X2 is O, (viii) X1 is O and X2 is CR7, (ix) X1 is CR7 and X2 is C(R7)2, (x) X1 is C(R7)2 and X2 is CR7; (xi) X1 is N and X2 is O, or (xii) X1 is O and X2 is N, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE

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Page/Page column 183, (2009/10/06)

Benzopyran and benzoxepin compounds of Formulas I and II, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formulas I and II for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

OXAZOLIDINONE DERIVATIVES N-SUBSTITUTED BY A BICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS

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Page/Page column 94, (2010/02/08)

Compounds of formula (I) and methods for their preparation are disclosed. Further disclosed are methods of making biologically active compounds of formula (I) as well as pharmaceutically acceptable compositions comprising compounds of formula (I). Compoun

Anilide derivative, production and use thereof

-

, (2008/06/13)

This invention is to provide a compound of the formula: wherein R1 is an optionally substituted 5- to 6-membered ring: C is a divalent group of the formula: wherein the ring A is an optionally substituted 5- to 6-membered aromatic ring, X is an optionally substituted C, N or O atom, and the ring B is an optionally substituted 5- to 7-membered ring; Z is a chemical bond or a divalent group; R2 is (1) an optionally substituted amino group in which a nitrogen atom may form a quaternary ammonium, etc., or a salt thereof, which is useful for antagonizing MCP-1 receptor.

Substituted heterocyclic benzocycloalkenes and the use thereof as substances having an analgesic effect

-

, (2008/06/13)

This invention relates to substituted heterocyclic benzocycloalkenes of general formula I or pharmaceutically acceptable salts thereof, to a method of producing them and to their use as analgesics.

Discovery of novel, potent, and selective small-molecule CCR5 antagonists as anti-HIV-1 agents: Synthesis and biological evaluation of anilide derivatives with a quaternary ammonium moiety

Shiraishi, Mitsuru,Aramaki, Yoshio,Seto, Masaki,Imoto, Hiroshi,Nishikawa, Youichi,Kanzaki, Naoyuki,Okamoto, Mika,Sawada, Hidekazu,Nishimura, Osamu,Baba, Masanori,Fujino, Masahiko

, p. 2049 - 2063 (2007/10/03)

The search for new small-molecule CCR5 antagonists by high-throughput screening (HTS) of the Takeda chemical library using [125I]RANTES and CHO/CCR5 cells led to the discovery of lead compounds (A, B) with a quaternary ammonium or phosphonium m

The Preparation of 3,4-Dihydro-1-benzoxepin-5(2H)-ones

Freedman, Jules,Stewart, Kenneth T.

, p. 1547 - 1554 (2007/10/02)

Several methods for the preparation of 3,4-dihydro-1-benzoxepin-5(2H)-ones are described.In addition to the desired ketones, a veriety of novel by-products have been isolated.

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