4-Bromophenyl cyclopropyl ketone

Base Information

• Chemical Name: 4-Bromophenyl cyclopropyl ketone
• CAS No.: 6952-89-2
• Molecular Formula: C10H9BrO
• Molecular Weight: 225.085
• Hs Code.: 29147000
• European Community (EC) Number: 230-130-5
• NSC Number: 70846
• DSSTox Substance ID: DTXSID80219774
• Nikkaji Number: J265.990E
• Wikidata: Q72449343
• Mol file: 6952-89-2.mol

Synonyms:(4-bromophenyl)(cyclopropyl)methanone;6952-89-2;4-Bromophenyl cyclopropyl ketone;(4-Bromophenyl)cyclopropylmethanone;Methanone, (4-bromophenyl)cyclopropyl-;(4-bromophenyl)-cyclopropylmethanone;(4-Bromophenyl)(cyclopropyl)ketone;(4-Bromophenyl)cyclopropyl-methanone;MFCD00019227;EINECS 230-130-5;NSC70846;4-BROMO-CYCLOPROPYLCARBONYLBENZENE;(4-Bromobenzoyl)cyclopropane;SCHEMBL13463;4-bromophenylcyclopropylmethanone;DTXSID80219774;NSC 70846;NSC-70846;AKOS005070089;(4-Bromo-phenyl)-cyclopropyl-methanone;(4-bromophenyl)-(cyclopropyl)methanone;AB87758;AM20041024;B4076;CS-0186073;FT-0617913;EN300-94284;Ethyl5-chloro-1,3,4-thiadiazole-2-carboxylate;2X-0304;A836530;J-501372;Z385417650;2-(4-bromophenyl)cyclopropanecarbaldehyde;(4-Bromophenyl)(cyclopropyl)methanone

Chemical Property of 4-Bromophenyl cyclopropyl ketone

Chemical Property:

• Vapor Pressure: 0.00072mmHg at 25°C
• Melting Point: 40.0 to 44.0 °C
• Refractive Index: 1.5919
• Boiling Point: 307.6 °C at 760 mmHg
• Flash Point: 100.4 °C
• PSA: 17.07000
• Density: 1.45g/cm³
• LogP: 3.04180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 223.98368
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-BROMOPHENYL CYCLOPROPYL KETONE 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)C2=CC=C(C=C2)Br

Technology Process of 4-Bromophenyl cyclopropyl ketone

There total 7 articles about 4-Bromophenyl cyclopropyl ketone 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: 44.1%

1-(4-bromophenyl)-4-chlorobutan-1-one (4559-96-0) → (4-bromophenyl)(cyclopropyl)methanone (6952-89-2)

Guidance literature:

With potassium hydroxide; In methanol; cooling to 20 deg C;

Reference yield: 35.0%

bromobenzene (108-86-1,52753-63-6) + cyclopropanecarboxylic acid chloride (4023-34-1) → (4-bromophenyl)(cyclopropyl)methanone (6952-89-2)

Guidance literature:

bromobenzene; With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 0.5h;

cyclopropanecarboxylic acid chloride; In dichloromethane; at 20 ℃; for 3h;

Reference yield:

1.4-dibromobenzene (106-37-6) + cyclopropanecarboxylic acid N-methoxy-N-methylamide (147356-78-3) → (4-bromophenyl)(cyclopropyl)methanone (6952-89-2)

Guidance literature:

1.4-dibromobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

cyclopropanecarboxylic acid N-methoxy-N-methylamide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h;

DOI:10.1002/anie.202004320

upstream raw materials:

bromobenzene

4-Chlorobutanoyl chloride

1-(4-bromophenyl)-4-chlorobutan-1-one

cyclopropanecarboxylic acid chloride

Downstream raw materials:

1-((4-bromophenyl)(hydroxy)methyl)cyclopropane

(4-Bromo-phenyl)-cyclopropyl-pyrimidin-5-yl-methanol

4-cyanophenylcyclopropylmethanone

(E)-3-(4-(cyclopropylcarbonyl)phenyl)acrylic acid methyl ester