Bromocycloheptane

Base Information

• Chemical Name: Bromocycloheptane
• CAS No.: 2404-35-5
• Molecular Formula: C7H13Br
• Molecular Weight: 177.084
• Hs Code.: 29035980
• European Community (EC) Number: 219-294-9
• NSC Number: 9472
• UNII: LC8AX2EKR3
• DSSTox Substance ID: DTXSID1062386
• Nikkaji Number: J102.576G
• Wikidata: Q81990002
• Mol file: 2404-35-5.mol

Synonyms:BROMOCYCLOHEPTANE;2404-35-5;Cycloheptyl bromide;Cycloheptane, bromo-;bromo-cycloheptane;EINECS 219-294-9;NSC 9472;NSC-9472;bromocyclo-heptane;NSC9472;2-bromocycloheptane;Cycloheptane,bromo-;Bromocycloheptane, 97%;LC8AX2EKR3;SCHEMBL625207;DTXSID1062386;CHEBI:183290;CAA40435;MFCD00004149;AKOS009159096;CS-0146614;FT-0624174;EN300-124124;F53566;A817059;J-015331

Chemical Property of Bromocycloheptane

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 0.628mmHg at 25°C
• Refractive Index: n20/D 1.5052(lit.)
• Boiling Point: 194.1 °C at 760 mmHg
• Flash Point: 68.3 °C
• PSA: 0.00000
• Density: 1.278 g/cm³
• LogP: 3.10410
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 176.02006
• Heavy Atom Count: 8
• Complexity: 53.4

Purity/Quality:

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

Bromocycloheptane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 24/25-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCCC(CC1)Br

Technology Process of Bromocycloheptane

There total 15 articles about Bromocycloheptane 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: 97.0%

5-Cycloheptyloxy-thianthren-5-ium; perchlorate → cycloheptyl bromide (2404-35-5) + thianthrene-5-oxide (2362-50-7) + cycloheptanol (502-41-0) + Thianthrene (92-85-3)

Guidance literature:

With 18-crown-6 ether; potassium bromide; Product distribution;

DOI:10.1002/(SICI)1099-1395(199911)12:11<827::AID-POC198>3.0.CO;2-E

Reference yield: 97.0%

cycloheptane (291-64-5) → cycloheptyl bromide (2404-35-5)

Guidance literature:

With manganese(IV) oxide; bromine; at 80 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2004.11.113

Reference yield: 82.0%

cycloheptane (291-64-5) + carbon monoxide (201230-82-2) + isopropyl alcohol (67-63-0,8013-70-5) → cycloheptyl bromide (2404-35-5) + 1-Methyl-cyclohexancarbonsaeure-(1)-isopropylester (6553-86-2)

Guidance literature:

cycloheptane; carbon monoxide; With aluminum tri-bromide; carbon tetrabromide; In various solvent(s); at -40 ℃; for 2h; under 760 Torr;

isopropyl alcohol; In various solvent(s); at -40 - 20 ℃;

DOI:10.1016/S0040-4039(00)01761-5

upstream raw materials:

cycloheptanol

cycloheptane

bicyclo[4.1.0]heptane

N-cycloheptyl-N'-tosylhydrazine

Downstream raw materials:

cycloheptyl phenyl ether

cycloheptane

Cycloheptene

cycloheptanoic acid

Refernces

• 1、 Kanazawa, Junichiro,Koyamada, Kenta,Miyamoto, Kazunori,Uchiyama, Masanobu,Watanabe, Ayumi. "Decarboxylative Bromination of Sterically Hindered Carboxylic Acids with Hypervalent Iodine(III) Reagents". supporting information. p. 1328 - 1334. Retrieved 2020/08/14.
• 2、 Rana, Sujoy,Biswas, Jyoti Prasad,Sen, Asmita,Clémancey, Martin,Blondin, Geneviève,Latour, Jean-Marc,Rajaraman, Gopalan,Maiti, Debabrata. "Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo". . p. 7843 - 7858. Retrieved 2018/10/31.