2-Phenylcycloheptanone

Base Information

• Chemical Name: 2-Phenylcycloheptanone
• CAS No.: 14996-78-2
• Molecular Formula: C13H16O
• Molecular Weight: 188.269
• Hs Code.: 2914399090
• European Community (EC) Number: 239-083-5
• NSC Number: 80682
• DSSTox Substance ID: DTXSID00871237
• Nikkaji Number: J81.812G
• Mol file: 14996-78-2.mol

Synonyms:2-Phenylcycloheptanone;14996-78-2;2-Phenylcycloheptan-1-one;Cycloheptanone, 2-phenyl-;EINECS 239-083-5;NSC80682;2-Phenyl-cycloheptanon;2-phenyl-cycloheptan-1-one;SCHEMBL4063122;DTXSID00871237;CCG-40377;NSC 80682;NSC-80682;AKOS009157074;CS-0262149;FT-0654333;A20894;E73413;EN300-816171

Chemical Property of 2-Phenylcycloheptanone

Chemical Property:

• Appearance/Colour: Clear yellow liquid after melting
• Vapor Pressure: 0.000557mmHg at 25°C
• Melting Point: 21-23 °C
• Refractive Index: 1.541-1.543
• Boiling Point: 311.6 °C at 760 mmHg
• Flash Point: 132.1 °C
• PSA: 17.07000
• Density: 1.018 g/cm³
• LogP: 3.30340
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

2-PHENYLCYCLOHEPTANONE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(=O)CC1)C2=CC=CC=C2

Technology Process of 2-Phenylcycloheptanone

There total 52 articles about 2-Phenylcycloheptanone 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: 98.0%

1-(α-Bromobenzyl)cyclohexan-1-ol (801163-54-2) → 2-phenylcycloheptanone (14996-78-2)

Guidance literature:

With diethylzinc; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/jo800231s

Reference yield: 93.0%

2-phenylcycloheptan-1-ol (92035-59-1) → 2-phenylcycloheptanone (14996-78-2)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 0 - 20 ℃; for 24h;

DOI:10.1021/acs.orglett.9b01672

Reference yield: 92.0%

phenyldiazomethane (908094-04-2) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-phenylcycloheptanone (14996-78-2)

Guidance literature:

cyclohexanone; With scandium tris(trifluoromethanesulfonate); In toluene; at 20 ℃; for 0.0833333h; Inert atmosphere;

phenyldiazomethane; In toluene; at -78 - 0 ℃; Inert atmosphere;

DOI:10.1055/s-0031-1289650

upstream raw materials:

phenyldiazomethane

cyclohexanone

(RS)-2-phenylcyclohexanone

ethyl N-methyl-N-nitrosocarbamate

Downstream raw materials:

(2-phenyl-cyclohept-1-enyl)-acetic acid

(2-Phenyl-cyclohept-1-enyl)-((S)-1-phenyl-ethyl)-amine

2-Phenyl-N-(1-phenylethyl)cycloheptanimin

2-Phenyl-N-(1-phenylethyl)cycloheptanimin