Cyclohexane, 1-bromo-3-(1,1-dimethylethyl)-, trans-

Base Information

• Chemical Name: Cyclohexane, 1-bromo-3-(1,1-dimethylethyl)-, trans-
• CAS No.: 35018-64-5
• Molecular Formula: C₁₀H₁₉Br
• Molecular Weight: 219.165
• DSSTox Substance ID: DTXSID401224663
• Mol file: 35018-64-5.mol

Synonyms:DTXSID401224663;Cyclohexane, 1-bromo-3-(1,1-dimethylethyl)-, trans-;35018-64-5

Chemical Property of Cyclohexane, 1-bromo-3-(1,1-dimethylethyl)-, trans-

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 218.06701
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1CCCC(C1)Br
• Isomeric SMILES: CC(C)(C)[C@@H]1CCC[C@H](C1)Br

Technology Process of Cyclohexane, 1-bromo-3-(1,1-dimethylethyl)-, trans-

There total 2 articles about Cyclohexane, 1-bromo-3-(1,1-dimethylethyl)-, trans- 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:

3-tert-butylcyclohexanol (4534-70-7) → cis-1-bromo-3-t-butylcyclohexane (35018-64-5,35018-65-6,91138-63-5) + trans-1-bromo-3-t-butylcyclohexane (35018-64-5,35018-65-6,91138-63-5)

Guidance literature:

With bromide; phosphorus tribromide; In dichloromethane; for 15h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

Reference yield:

3-tert-butylcyclohexanol (4534-70-7) → cis-1-bromo-3-t-butylcyclohexane (35018-64-5,35018-65-6,91138-63-5) + trans-1-bromo-3-t-butylcyclohexane (35018-64-5,35018-65-6,91138-63-5)

Guidance literature:

With bromide; phosphorus tribromide; In dichloromethane; for 15h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

upstream raw materials:

3-tert-butylcyclohexanol

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