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2-(Bromomethyl)benzofuran, with the molecular formula C9H7BrO, is a brominated derivative of benzofuran, a heterocyclic compound that features a benzene ring fused to a furan ring. The presence of the bromomethyl group endows it with alkylating properties, allowing it to react with nucleophiles, which makes it a valuable component in organic synthesis. 2-(BROMOMETHYL)BENZOFURAN is recognized for its potential as a building block in the creation of complex organic molecules and pharmaceuticals. Due to its reactivity and potential hazards, it is crucial to handle 2-(bromomethyl)benzofuran with appropriate care.

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  • 41014-27-1 Structure
  • Basic information

    1. Product Name: 2-(BROMOMETHYL)BENZOFURAN
    2. Synonyms: 2-(BROMOMETHYL)BENZOFURAN;2-(broMoMethyl)-1-benzofuran;2-(BroMoMethyl)benzo[b]furan
    3. CAS NO:41014-27-1
    4. Molecular Formula: C9H7BrO
    5. Molecular Weight: 211.06
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 41014-27-1.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.: Inert atmosphere,Store in freezer, under -20°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-(BROMOMETHYL)BENZOFURAN(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-(BROMOMETHYL)BENZOFURAN(41014-27-1)
    11. EPA Substance Registry System: 2-(BROMOMETHYL)BENZOFURAN(41014-27-1)
  • 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: 41014-27-1(Hazardous Substances Data)

41014-27-1 Usage

Uses

Used in Organic Synthesis:
2-(Bromomethyl)benzofuran is used as a synthetic intermediate for the preparation of various organic compounds. Its alkylating ability allows it to react with nucleophiles, facilitating the formation of new chemical bonds and contributing to the synthesis of a wide range of molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-(Bromomethyl)benzofuran is used as a key building block in the development of new drugs. Its unique structure and reactivity make it a promising candidate for the creation of novel pharmaceutical agents, potentially leading to advancements in medicinal chemistry.
Used in Chemical Research:
2-(Bromomethyl)benzofuran is utilized in chemical research as a model compound to study the reactivity and properties of brominated heterocyclic compounds. This helps in understanding the underlying mechanisms of various chemical reactions and can contribute to the discovery of new synthetic pathways and methodologies.

Check Digit Verification of cas no

The CAS Registry Mumber 41014-27-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,1,0,1 and 4 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 41014-27:
(7*4)+(6*1)+(5*0)+(4*1)+(3*4)+(2*2)+(1*7)=61
61 % 10 = 1
So 41014-27-1 is a valid CAS Registry Number.

41014-27-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(bromomethyl)-1-benzofuran

1.2 Other means of identification

Product number -
Other names 2-benzo[b]furylmethyl bromide

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:41014-27-1 SDS

41014-27-1Relevant articles and documents

COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF

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, (2022/03/14)

A compound of formula (I), a preparation method therefor, a pharmaceutical composition containing a derivative thereof, and the therapeutic uses thereof, especially inhibiting PGE2/EP4 signalling transduction and the uses thereof for treating cancer, acute or chronic pain, migraine, osteoarthritis, rheumatoid arthritis, gout, bursitis, ankylosing spondylitis, primary dysmenorrhea, tumour or arteriosclerosis.

Immunomodulator

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, (2021/02/10)

The invention discloses an immunomodulator, and particularly relates to compounds for inhibiting IL-17A and application of the compounds serving as the immunomodulator in preparation of drugs. The invention discloses an application of a compound shown as a formula I or a stereoisomer thereof in preparing medicines for inhibiting IL-17A, and provides a new choice for clinically screening and/or preparing medicines for treating diseases related to IL-17A activity.

Immunomodulator

-

, (2021/02/10)

The invention discloses an immunomodulator, and particularly relates to a compound shown as a formula I, or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof. Experiments prove that the compound has good IL-17A inhibitory activity, can be used for preparing an IL-17A inhibitor and drugs for preventing and/or treating IL-17A mediated diseases (such as inflammation, autoimmune diseases, infectious diseases, cancers and precancerous syndromes), and provides a new medical possibility for clinical treatment of diseases related to abnormal IL-17A activity.

Picolinic acids as β-exosite inhibitors of botulinum neurotoxin A light chain

Bremer, Paul T.,Xue, Song,Janda, Kim D.

supporting information, p. 12521 - 12524 (2016/10/24)

In developing small-molecule inhibitors of botulinum neurotoxin serotype A light chain (BoNT/A LC), substituted picolinic acids were identified. Extensive investigation into the SAR of the picolinic acid scaffold revealed 5-(1-butyl-4-chloro-1H-indol-2-yl)picolinic acid (CBIP), which possessed low micromolar activity against BoNT/A. Kinetic and docking studies demonstrated binding of CBIP to the β-exosite: a largely unexplored site on the LC that holds therapeutic relevance for botulism treatment.

Synthesis and Insecticidal Activity of Spinosyns with C9- O -Benzyl Bioisosteres in Place of the 2′,3′,4′-Tri- O -methyl Rhamnose

Oliver, M. Paige,Crouse, Gary D.,Demeter, David A.,Sparks, Thomas C.

, p. 5571 - 5577 (2015/06/25)

The spinosyns are fermentation-derived natural products active against a wide range of insect pests. They are structurally complex, consisting of two sugars (forosamine and rhamnose) coupled to a macrocyclic tetracycle. Removal of the rhamnose sugar results in a >100-fold reduction in insecticidal activity. C9-O-benzyl analogues of spinosyn D were synthesized to determine if the 2′,3′,4′-tri-O-methyl rhamnose moiety could be replaced with a simpler, synthetic bioisostere. Insecticidal activity was evaluated against larvae of Spodoptera exigua (beet armyworm) and Helicoverpa zea (corn earworm). Whereas most analogues were far less active than spinosyn D, a few of the C9-O-benzyl analogues, such as 4-CN, 4-Cl, 2-isopropyl, and 3,5-diOMe, were within 3-15 times the activity of spinosyn D for larvae of S. exigua and H. zea. Thus, although not yet quite as effective, synthetic bioisosteres can substitute for the naturally occurring 2′,3′,4′-tri-O-methyl rhamnose moiety.

Synthesis and characterization of selective dopamine D2 receptor antagonists. 2. Azaindole, benzofuran, and benzothiophene analogs of L-741,626

Vangveravong, Suwanna,Taylor, Michelle,Xu, Jinbin,Cui, Jinquan,Calvin, Wesley,Babic, Sonja,Luedtke, Robert R.,MacH, Robert H.

experimental part, p. 5291 - 5300 (2010/09/09)

A series of indole, 7-azaindole, benzofuran, and benzothiophene compounds have been prepared and evaluated for affinity at D2-like dopamine receptors. These compounds share structural elements with the classical D 2-like dopamine rec

TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS

-

Page/Page column 39-40, (2010/11/17)

The invention relates to novel compounds for use in the treatment or prophylaxis of cancers and other proliferative conditions that are for example characterized by cells that express cytochrome P450 1B1 (CYP1B1) and allelic variants thereof. The invention also provides pharmaceutical compositions comprising one or more such compounds for use in medical therapy, for example in the treatment of prophylaxis of cancers or other proliferative conditions, as well as methods for treating cancers or other conditions in human or non-human animal patients. The invention also provides methods for identifying novel compounds for use in the treatment of prophylaxis of cancers and other proliferative conditions that are for example characterized by cells that express CYP1 B1 and allelic variants thereof. The invention also provides a method for determining the efficacy of a compound of the invention in treating cancer.

Palladium-catalyzed cross coupling reaction of benzyl bromides with diazoesters for stereoselective synthesis of (E)-α,β-diarylacrylates

Yu, Wing-Yiu,Tsoi, Yuk-Tai,Zhou, Zhongyuan,Chan, Albert S. C.

supporting information; experimental part, p. 469 - 472 (2009/07/11)

(Chemical Equation Presented) A Pd-catalyzed cross-coupling reaction of benzyl bromides with α-aryldiazoesters is described, and E-α,β-diarylacrylates were obtained in good yields and excellent E-to-Z selectivity (>20:1).

PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION

-

Page/Page column 109, (2008/12/07)

There is provided compounds of formula (I): wherein R1, R2, R3, R4, R5, R6, R7, m and n have meanings given in the description, and pharmaceutically acceptable derivatives thereof, which compounds are useful in the treatment of diseases and conditions associated with inflammation.

Aminostyrylbenzofuran derivatives as potent inhibitors for Aβ fibril formation

Byun, Ji Hun,Kim, HyeYun,Kim, YoungSoo,Mook-Jung, Inhee,Kim, Dong Jin,Lee, Won Koo,Yoo, Kyung Ho

scheme or table, p. 5591 - 5593 (2009/06/18)

The synthesis of a novel series of aminostyrylbenzofuran derivatives 1a-w and their inhibitory activities for Aβ fibril formation were described. All the synthesized compounds were evaluated by thioflavin T (ThT) assay and displayed potent inhibitory activities for Aβ fibril formation. Among them, compounds 1i and 1q exhibited excellent inhibitory activities (IC50 = 0.07 and 0.08 μM, respectively) than those of Curcumin (IC50 = 0.80 μM) and IMSB (IC50 = 8.00 μM) as reference compounds. Both compounds were selected as promising candidates for further biological evaluation.

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