trans-1-Bromo-2-Fluorocyclohexane

Base Information

• Chemical Name: trans-1-Bromo-2-Fluorocyclohexane
• CAS No.: 17170-96-6
• Molecular Formula: C6H10BrF
• Molecular Weight: 181.048
• Hs Code.: 2903890090
• Nikkaji Number: J411.655K
• Mol file: 17170-96-6.mol

Synonyms:17170-96-6;trans-1-Bromo-2-Fluorocyclohexane;(1R,2R)-1-bromo-2-fluorocyclohexane;rel-1alpha*-Fluoro-2beta*-bromocyclohexane;Cyclohexane, 1-bromo-2-fluoro-, trans-;1beta-Bromo-2alpha-fluorocyclohexane;InChI=1/C6H10BrF/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m1/s

Chemical Property of trans-1-Bromo-2-Fluorocyclohexane

Chemical Property:

• Boiling Point: 166.7°Cat760mmHg
• Flash Point: 56.8°C
• PSA: 0.00000
• Density: 1.4g/cm³
• LogP: 2.66200
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 179.99499
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(C1)F)Br
• Isomeric SMILES: C1CC[C@H]([C@@H](C1)F)Br

Technology Process of trans-1-Bromo-2-Fluorocyclohexane

There total 17 articles about trans-1-Bromo-2-Fluorocyclohexane 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: 91.0%

cyclohexene (110-83-8) → trans-1-bromo-2-fluorocyclohexane (17170-96-6)

Guidance literature:

With N-Bromosuccinimide; triethylamine tris(hydrogen fluoride); In dichloromethane; at 5 - 20 ℃;

DOI:10.1055/s-0040-1706101

Reference yield: 70.0%

cyclohexene (110-83-8) → trans-1,2-dibromocyclohexane (7429-37-0) + trans-1-bromo-2-fluorocyclohexane (17170-96-6)

Guidance literature:

With mercury(II) fluoride; bromine; In dichloromethane; for 1h; Ambient temperature;

Reference yield: 69.0%

1-bromocyclohexane (108-85-0) → trans-1-bromo-2-fluorocyclohexane (17170-96-6)

Guidance literature:

With nitronium tetrafluoborate; pyridine hydrogenfluoride; at -5 ℃; for 15h; Mechanism; other cyclic and acyclic secondary bromides;

DOI:10.1021/jo00381a040

upstream raw materials:

cyclohexene

1-bromocyclohexane

N-Bromosuccinimide

2-bromocyclocyclohexanol

Downstream raw materials:

3-methoxycyclohexene

3-fluorocyclohex-1-ene

cyclohexa-1,3-diene

1-bromocyclohex-1-ene