Bromocyclooctane

Base Information

• Chemical Name: Bromocyclooctane
• CAS No.: 1556-09-8
• Molecular Formula: C8H15Br
• Molecular Weight: 191.111
• Hs Code.: 2903890090
• European Community (EC) Number: 216-310-6
• NSC Number: 226433
• UNII: E8HKX4AU2U
• DSSTox Substance ID: DTXSID50165916
• Nikkaji Number: J206.782J
• Wikidata: Q83035156
• Mol file: 1556-09-8.mol

Synonyms:Bromocyclooctane;Cyclooctyl bromide;1556-09-8;Cyclooctane, bromo-;1-Bromocyclooctane;CYCLOOCTYLBROMIDE;E8HKX4AU2U;C8H15Br;EINECS 216-310-6;NSC-226433;Cyclooctane,bromo-;NSC226433;BrC1CCCCCCC1;UNII-E8HKX4AU2U;SCHEMBL932235;KFKLBMQLKLKHLU-UHFFFAOYSA-;DTXSID50165916;MFCD00039603;AKOS009156657;NSC 226433;CS-0146613;FT-0623237;A902600;J-009209

Chemical Property of Bromocyclooctane

Chemical Property:

• Vapor Pressure: 0.302mmHg at 25°C
• Refractive Index: 1.5120
• Boiling Point: 208.8 °C at 760 mmHg
• Flash Point: 83.4 °C
• PSA: 0.00000
• Density: 1.222 g/cm³
• LogP: 3.49420
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 190.03571
• Heavy Atom Count: 9
• Complexity: 63

Purity/Quality:

99% ^*data from raw suppliers

Bromocyclooctane ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(CCC1)Br
• Uses: Bromocyclooctane is an antibacterial and antineoplastic brominated carbocyclic compound.

Technology Process of Bromocyclooctane

There total 17 articles about Bromocyclooctane 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: 100.0%

Cyclooctan (292-64-8) → cyclooctyl bromide (1556-09-8)

Guidance literature:

With Li₂MnO₃; bromine; oxygen; at 25 ℃; for 0.2h; under 760.051 Torr; Photolysis;

DOI:10.1039/c2ra22197g

Reference yield: 96.0%

1,2-cyclooctene (931-88-4,22770-27-0,3958-30-3,25267-51-0) → cyclooctyl bromide (1556-09-8)

Guidance literature:

With 2,2,4-trimethylpentane; tetradecafluorohexane; bromine; at 20 ℃; for 2h; Irradiation;

DOI:10.1055/s-0030-1258482

Reference yield: 69.0%

ethyl-cyclohexane (1678-91-7) + carbon monoxide (201230-82-2) + isopropyl alcohol (67-63-0,8013-70-5) → cyclooctyl bromide (1556-09-8) + 1-ethyl-cyclohexanecarboxylic acid isopropyl ester

Guidance literature:

ethyl-cyclohexane; carbon monoxide; With aluminum tri-bromide; carbon tetrabromide; In various solvent(s); at -40 ℃; for 1h; under 760 Torr;

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

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

upstream raw materials:

cyclooctanol

cis-Cyclooctene

1,5-cis,cis-cyclooctadiene

Cyclooctan

Downstream raw materials:

2-Cyclooctylamino-aethanthioschwefelsaeure

cyclooctylcarboxaldehyde

Cyclooctyl phenyl telluride

cis-Cyclooctene

Refernces

• 1、 Cope,A.C. et al.. "-". . p. 3107 - 3110. Retrieved 1965.
• 2、 Zhao, Mengdi,Lu, Wenjun. "Catalytic Bromination of Alkyl sp3C-H Bonds with KBr/Air under Visible Light". supporting information. p. 5264 - 5267. Retrieved 2018/09/12.
• 3、 Liu, Shouxin,Zhang, Qi,Tian, Xia,Fan, Shiming,Huang, Jing,Whiting, Andrew. "Highly selective halogenation of unactivated C(sp3)-H with NaX under co-catalysis of visible light and Ag@AgX". . p. 4729 - 4737. Retrieved 2018/10/23.