4-(Bromomethyl)-1,1-difluorocyclohexane

Base Information

• Chemical Name: 4-(Bromomethyl)-1,1-difluorocyclohexane
• CAS No.: 858121-94-5
• Molecular Formula: C7H11BrF2
• Molecular Weight: 213.065
• Hs Code.: 2903898090
• European Community (EC) Number: 823-529-6
• DSSTox Substance ID: DTXSID10693609
• Wikidata: Q72447031
• Mol file: 858121-94-5.mol

Synonyms:4-(BROMOMETHYL)-1,1-DIFLUOROCYCLOHEXANE;858121-94-5;4-Bromomethyl-1,1-difluoro-cyclohexane;4-Bromomethyl-1,1-difluorocyclohexane;MFCD11847776;C7H11BrF2;SCHEMBL580930;DTXSID10693609;AMY32118;AKOS015853249;AB64741;AS-32298;SY026788;CS-0051174;FT-0769555;4-(bromomethyl)-1,1-bis(fluoranyl)cyclohexane;EN300-252315;A841456;J-513656;F2147-5431

Chemical Property of 4-(Bromomethyl)-1,1-difluorocyclohexane

Chemical Property:

• Boiling Point: 194.974 °C at 760 mmHg
• Flash Point: 71.718 °C
• PSA: 0.00000
• Density: 1.414 g/cm³
• LogP: 3.20680
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 212.00122
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

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

4-(Bromomethyl)-1,1-difluorocyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1CBr)(F)F

Technology Process of 4-(Bromomethyl)-1,1-difluorocyclohexane

There total 2 articles about 4-(Bromomethyl)-1,1-difluorocyclohexane 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: 96.0%

(4,4-difluorocyclohexyl)methanol (178312-48-6) → 4-(bromomethyl)-1,1-difluorocyclohexane (858121-94-5)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 0 - 20 ℃; for 2h;

Reference yield:

(4,4-difluorocyclohexyl)methyl 4-methylbenzenesulfonate (178310-99-1) → 4-(bromomethyl)-1,1-difluorocyclohexane (858121-94-5)

Guidance literature:

With lithium bromide; In water; acetone; for 8h; Heating / reflux;

Reference yield: 87.0%

4-(bromomethyl)-1,1-difluorocyclohexane (858121-94-5) + 2-[4-(ethylsulfonyl)phenyl]-N-{4-[(propylamino)methyl]phenyl}acetamide (1508310-56-2) → N-(4-((((4,4-difluorocyclohexyl)methyl)(propyl)amino)methyl)phenyl)-2-(4-(ethylsulfonyl)phenyl)acetamide

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 3h; Sealed tube; Heating;

DOI:10.1016/j.ejmech.2021.113704

upstream raw materials:

(4,4-difluorocyclohexyl)methyl 4-methylbenzenesulfonate

(4,4-difluorocyclohexyl)methanol

Downstream raw materials:

C₁₁H₁₉F₂NO₂

N-[(4,4-difluorocyclohexyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.5]octane-8-sulfonamide

N-[(4,4-difluorocyclohexyl)methyl]-N-ethyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.5]octane-8-sulfonamide

N,N-bis[(4,4-difluorocyclohexyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.5]octane-8-sulfonamide

Refernces

• 1、 -. "NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS". Page/Page column 33. . Retrieved 2019/03/05.
• 2、 -. "NITRILE COMPOUND AND ITS USE IN PEST CONTROL". Page/Page column 137-138. . Retrieved 2010/02/12.