3-(4-Bromobenzoyl)thiophene

Base Information

• Chemical Name: 3-(4-Bromobenzoyl)thiophene
• CAS No.: 187963-92-4
• Molecular Formula: C₁₁H₇BrOS
• Molecular Weight: 267.146
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60445473
• Nikkaji Number: J807.983H
• Wikidata: Q82263890
• Mol file: 187963-92-4.mol

Synonyms:3-(4-BROMOBENZOYL)THIOPHENE;187963-92-4;(4-bromophenyl)-thiophen-3-ylmethanone;MFCD07699021;SCHEMBL17100305;3-Thienyl(4-bromophenyl) ketone;DTXSID60445473;AKOS009505453;(4-BROMOPHENYL)(THIOPHEN-3-YL)METHANONE

Chemical Property of 3-(4-Bromobenzoyl)thiophene

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 355.805°C at 760 mmHg
• Flash Point: 168.985°C
• PSA: 45.31000
• Density: 1.542g/cm³
• LogP: 3.74160
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 265.94010
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Bromobenzoyl)thiophene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CSC=C2)Br

Technology Process of 3-(4-Bromobenzoyl)thiophene

There total 4 articles about 3-(4-Bromobenzoyl)thiophene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

(4-bromophenyl)(thiophen-3-yl)methanol (944696-30-4) → (4-bromophenyl)(thiophen-3-yl)methanone (187963-92-4)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1021/acsmedchemlett.6b00190

Reference yield:

(5-bromo-2-(methoxymethoxy)phenyl)(thiophen-3-yl)methanol → (4-bromophenyl)(thiophen-3-yl)methanone (187963-92-4)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 12h;

Reference yield:

4-bromo-benzaldehyde (1122-91-4) → (4-bromophenyl)(thiophen-3-yl)methanone (187963-92-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / hexane / 1 h / -78 °C / Inert atmosphere

1.2: 2 h / -78 °C / Inert atmosphere

2.1: manganese(IV) oxide / chloroform / 12 h / 60 °C / Inert atmosphere

With manganese(IV) oxide; n-butyllithium; In hexane; chloroform;

upstream raw materials:

3-Bromothiophene

4-chlorobenzoyl chloride

4-bromo-benzaldehyde

(4-bromophenyl)(thiophen-3-yl)methanol

Refernces

• 1、 -. "METHOD OF CONTROLLING LACTATE PRODUCTION WITH PIPERDINE-DIONE DERIVATIVES". . . Retrieved 2015/11/10.
• 2、 Kim, Seung-Hoi,Rieke, Reuben D.. "Preparation and coupling reaction of thienylmanganese bromides". . p. 993 - 996. Retrieved 2007/10/03.