7-Chloro-1-oxo-1-phenylheptane

Base Information

• Chemical Name: 7-Chloro-1-oxo-1-phenylheptane
• CAS No.: 17734-41-7
• Molecular Formula: C13H17ClO
• Molecular Weight: 224.73
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10395737
• Nikkaji Number: J535.851E
• Wikidata: Q82195977
• Mol file: 17734-41-7.mol

Synonyms:7-CHLORO-1-OXO-1-PHENYLHEPTANE;17734-41-7;7-chloro-1-phenylheptan-1-one;MFCD00672046;SCHEMBL2236826;7-chloro-1-phenyl-1-heptanone;1-Phenyl-7-chloro-1-heptanone;DTXSID10395737;IBUIBNBWCOAMTI-UHFFFAOYSA-N;AKOS016019593

Chemical Property of 7-Chloro-1-oxo-1-phenylheptane

Chemical Property:

• Vapor Pressure: 0.000125mmHg at 25°C
• Boiling Point: 334.8°C at 760 mmHg
• Flash Point: 193.1°C
• PSA: 17.07000
• Density: 1.045g/cm³
• LogP: 4.05860
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 224.0967929
• Heavy Atom Count: 15
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

7-Chloro-1-oxo-1-phenylheptane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CCCCCCCl

Technology Process of 7-Chloro-1-oxo-1-phenylheptane

There total 12 articles about 7-Chloro-1-oxo-1-phenylheptane 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: 95.0%

7-chloroheptanoic acid chloride (54771-63-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → ω-chloroheptanoylbenzene (17734-41-7)

Guidance literature:

With aluminum (III) chloride; at 0 - 20 ℃; for 2.25h;

DOI:10.1134/S1068162010040060

Reference yield: 83.0%

1-chloro-6-iodohexane (34683-73-3) + carbon monoxide (201230-82-2) + phenylboronic acid (98-80-6) → ω-chloroheptanoylbenzene (17734-41-7)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In water; benzene; at 20 ℃; for 16h; under 34202.3 Torr; Autoclave; Irradiation;

DOI:10.1021/ol401363t

Reference yield: 73.0%

N'-[7-Chloro-1-phenyl-hept-(E)-ylidene]-N,N-dimethyl-hydrazine → ω-chloroheptanoylbenzene (17734-41-7)

Guidance literature:

With water; copper dichloride; In tetrahydrofuran; phosphoric acid;

upstream raw materials:

7-chloroheptanoic acid chloride

benzene

1-phenylcycloheptanol

1-bromo-6-chlorohexane

Downstream raw materials:

7-chloro-1-phenylheptan-1-ol

1-Benzamido-7-diethylamino-1-phenylheptan

(S,E)-N-(7-chloro-1-phenylhexylidene)-2-methylpropane-2-sulfinamide

9-(7-oxo-7-phenylheptyl)hypoxantine