4-Chlorophenyl cyclopropyl ketone

Base Information

• Chemical Name: 4-Chlorophenyl cyclopropyl ketone
• CAS No.: 6640-25-1
• Molecular Formula: C10H9ClO
• Molecular Weight: 180.634
• Hs Code.: 2914700090
• European Community (EC) Number: 229-655-2
• NSC Number: 49315
• DSSTox Substance ID: DTXSID40216623
• Nikkaji Number: J298.033I
• Wikidata: Q72456721
• ChEMBL ID: CHEMBL2251575
• Mol file: 6640-25-1.mol

Synonyms:4-Chlorophenyl cyclopropyl ketone;6640-25-1;(4-Chlorophenyl)(cyclopropyl)methanone;(4-Chlorobenzoyl)cyclopropane;(4-chlorophenyl)-cyclopropylmethanone;MFCD00001295;EINECS 229-655-2;Methanone, (4-chlorophenyl)cyclopropyl-;4-Chlorobenzoylcyclopropane;NSC49315;SCHEMBL392801;CHEMBL2251575;cyclopropyl 4-chlorophenyl ketone;p-Chlorophenyl cyclopropyl ketone;AMY4077;DTXSID40216623;cyclopropyl (4-chlorophenyl) ketone;NSC 49315;NSC-49315;(4-Chlorophenyl)cyclopropyl-methanone;AKOS000120701;AC-8321;4-Chlorophenyl cyclopropyl ketone, 98%;(4-Chlorophenyl)(cyclopropyl)methanone #;(4-Chlorophenyl);(cyclopropyl);methanone;AS-63641;bis(4-chloro-2-cyclopropyl-phenyl)methanone;C1681;FT-0618191;EN300-21026;D89446;A835452;W-104753

Chemical Property of 4-Chlorophenyl cyclopropyl ketone

Chemical Property:

• Appearance/Colour: Clear yellowish liquid after melting
• Vapor Pressure: 0.00256mmHg at 25°C
• Melting Point: 29-31 °C(lit.)
• Refractive Index: n20/D 1.5718(lit.)
• Boiling Point: 286.908 °C at 760 mmHg
• Flash Point: 138.424 °C
• PSA: 17.07000
• Density: 1.27 g/cm³
• LogP: 2.93270
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 180.0341926
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

4-Chlorophenyl Cyclopropyl Ketone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chlorophenyl cyclopropyl ketone

There total 16 articles about 4-Chlorophenyl 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: 83.7%

4-chloro-1-(4-chlorophenyl)butan-1-one (40877-09-6) → 4-chlorophenyl cyclopropyl ketone (6640-25-1)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; Inert atmosphere; Large scale;

Reference yield: 81.0%

(±)-(4-chlorophenyl)(cyclopropyl)methanol (18228-43-8) → 4-chlorophenyl cyclopropyl ketone (6640-25-1)

Guidance literature:

With tert.-butylnitrite; oxygen; carbonic acid dimethyl ester; 2,3-dicyano-5,6-dichloro-p-benzoquinone; at 18 ℃; for 15h; Irradiation; Sealed tube;

DOI:10.1021/ol502664f

Reference yield: 79.0%

1-Chloro-4-iodobenzene (637-87-6) + cyclopropanecarboxylic acid chloride (4023-34-1) → 4-chlorophenyl cyclopropyl ketone (6640-25-1)

Guidance literature:

With manganese(II) iodide; n-butyllithium; In diethyl ether;

DOI:10.1016/S0040-4039(97)00248-7

upstream raw materials:

chlorobenzene

4-Chlorobutanoyl chloride

4-chloro-1-(4-chlorophenyl)butan-1-one

1-Chloro-4-iodobenzene

Downstream raw materials:

1-(4-chlorophenyl)-1-cyclopropylethan-1-ol

(4-Chlor-phenyl)-cyclopropyl-[4-(2-diethylamino-ethoxy)-phenyl]-methanol

(4-chloro-3-nitrophenyl)(cyclopropyl)methanone

(E)-4-(4-chlorophenyl)but-3-en-1-ol

Refernces

• 1、 Li, Jian,Zhu, Shangrong,Xu, Qiuneng,Liu, Li,Yan, Shenghu. "Br?nsted acid mediated intramolecular cyclopropane ring expansion/[4 + 2]-cycloaddition". . p. 10004 - 10008. Retrieved 2019/12/23.
• 2、 -. "Method for preparing 4-cypro methylene phenylboronic acid". Paragraph 0027. . Retrieved 2017/08/31.