Cycloheptanol, 1-phenyl-

Base Information

• Chemical Name: Cycloheptanol, 1-phenyl-
• CAS No.: 2082-21-5
• Molecular Formula: C13H18 O
• Molecular Weight: 190.285
• Hs Code.: 2906299090
• NSC Number: 405226
• UNII: 4C55A7YTB9
• DSSTox Substance ID: DTXSID60174933
• Nikkaji Number: J48.594B
• Wikidata: Q83045119
• Mol file: 2082-21-5.mol

Synonyms:1-phenylcycloheptan-1-ol;CYCLOHEPTANOL, 1-PHENYL-;2082-21-5;1-Phenylcycloheptanol;4C55A7YTB9;NSC 405226;NSC-405226;BRN 1818534;NSC405226;1-Phenyl-cycloheptanol;UNII-4C55A7YTB9;SCHEMBL1041473;DTXSID60174933;LS-56013;3-06-00-02526 (Beilstein Handbook Reference)

Chemical Property of Cycloheptanol, 1-phenyl-

Chemical Property:

• Vapor Pressure: 0.000219mmHg at 25°C
• Boiling Point: 312.9°Cat760mmHg
• Flash Point: 122°C
• PSA: 20.23000
• Density: 1.035g/cm³
• LogP: 3.22840
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(CC1)(C2=CC=CC=C2)O

Technology Process of Cycloheptanol, 1-phenyl-

There total 15 articles about Cycloheptanol, 1-phenyl- 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: 99.0%

phenylmagnesium bromide (100-58-3) + cycloheptanone (502-42-1) → 1-phenylcycloheptanol (2082-21-5)

Guidance literature:

In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/acs.orglett.9b01959

Reference yield: 88.0%

phenylmagnesium bromide + cycloheptanone (502-42-1) → 1-phenylcycloheptanol (2082-21-5)

Guidance literature:

In tetrahydrofuran;

DOI:10.1021/jo00081a033

Reference yield: 80.0%

triphenylboroxine (3262-89-3) + cycloheptanone (502-42-1) → 1-phenylcycloheptanol (2082-21-5)

Guidance literature:

triphenylboroxine; cycloheptanone; With chloro(1,5-cyclooctadiene)rhodium(I) dimer; potassium carbonate; In toluene; at 90 - 110 ℃;

With hydrogenchloride; In water; toluene;

DOI:10.1021/ol300275s

upstream raw materials:

cycloheptanone

phenyllithium

bromobenzene

phenylcycloheptane

Downstream raw materials:

1-Phenylcycloheptene

1,1'-Diphenyl-1,1'-bicycloheptyl

ω-chloroheptanoylbenzene

1-phenylcycloheptanamine