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9-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one is a chemical compound with the molecular formula C11H10O3. It is a benzoxepin derivative, which is a seven-membered heterocyclic compound containing an oxygen atom. The presence of the methoxy group and the ketone functional group contributes to the chemical behavior of this compound.

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  • 127557-08-8 Structure
  • Basic information

    1. Product Name: 9-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one
    2. Synonyms: 9-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one;3,4-Dihydro-9-Methoxy-1-benzoxepin-5(2H)-one
    3. CAS NO:127557-08-8
    4. Molecular Formula: C11H12O3
    5. Molecular Weight: 192.21
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 127557-08-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: 9-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one(CAS DataBase Reference)
    10. NIST Chemistry Reference: 9-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one(127557-08-8)
    11. EPA Substance Registry System: 9-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one(127557-08-8)
  • 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: 127557-08-8(Hazardous Substances Data)

127557-08-8 Usage

Uses

Used in Pharmaceutical Industry:
9-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one is used as a potential pharmaceutical compound for its possible therapeutic applications. The presence of the methoxy and ketone groups may allow for interactions with biological targets, making it a candidate for drug development.
Used in Material Science:
9-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one is used as a potential material in material science due to its unique chemical structure. The properties of this compound may be harnessed for the development of new materials with specific characteristics, such as improved stability or reactivity.
Used in Synthetic Chemistry:
9-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one is used as a synthetic intermediate in the preparation of more complex molecules. Its chemical structure may serve as a building block for the synthesis of other compounds with potential applications in various fields.
Note: Further details such as its physical properties, toxicity, and potential applications in various industries require more specific study and cannot be inferred just from its structure.

Check Digit Verification of cas no

The CAS Registry Mumber 127557-08-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,7,5,5 and 7 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 127557-08:
(8*1)+(7*2)+(6*7)+(5*5)+(4*5)+(3*7)+(2*0)+(1*8)=138
138 % 10 = 8
So 127557-08-8 is a valid CAS Registry Number.

127557-08-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 9-methoxy-3,4-dihydro-2H-1-benzoxepin-5-one

1.2 Other means of identification

Product number -
Other names -

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:127557-08-8 SDS

127557-08-8Downstream Products

127557-08-8Relevant articles and documents

Discovery of Lu AA33810: A highly selective and potent NPY5 antagonist with in vivo efficacy in a model of mood disorder

Packiarajan, Mathivanan,Marzabadi, Mohammad R.,Desai, Mahesh,Lu, Yalei,Noble, Stewart A.,Wong, Wai C.,Jubian, Vrej,Chandrasena, Gamini,Wolinsky, Toni D.,Zhong, Hualing,Walker, Mary W.,Wiborg, Ove.,Andersen, Kim

, p. 5436 - 5441 (2011/10/12)

The structure-activity relationship of a series of tricyclic-sulfonamide compounds 11-32 culminating in the discovery of N-[trans-4-(4,5-dihydro-3,6- dithia-1-aza-benzo[e]azulen-2-ylamino)-cyclohexylmethyl]-methanesulfonamide (15, Lu AA33810) is reported. Compound 15 was identified as a selective and high affinity NPY5 antagonist with good oral bioavailability in mice (42%) and rats (92%). Dose dependent inhibition of feeding was observed after i.c.v. injection of the selective NPY5 agonist ([cPP1-7,NPY19-23,Ala 31,Aib32,Gln34]-hPP). In addition, ip administration of Lu AA33810 (10 mg/kg) produced antidepressant-like effects in a rat model of chronic mild stress.

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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