Bromozinc(1+);methanidylcyclohexane

Base Information

• Chemical Name: Bromozinc(1+);methanidylcyclohexane
• CAS No.: 135579-86-1
• Molecular Formula: C7H13BrZn
• Molecular Weight: 242.474
• DSSTox Substance ID: DTXSID50403668
• Mol file: 135579-86-1.mol

Synonyms:bromozinc(1+);methanidylcyclohexane;DTXSID50403668

Chemical Property of Bromozinc(1+);methanidylcyclohexane

Chemical Property:

• Refractive Index: ">
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 3.37740
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 239.94920
• Heavy Atom Count: 9
• Complexity: 44

Purity/Quality:

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

(Cyclohexylmethyl)zinc bromide solution 0.5 M in THF ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,C,Xn
• Statements: 19-20/21/22-34-40-36/37-14-11
• Safety Statements: 16-26-33-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [CH2-]C1CCCCC1.[Zn+]Br

Technology Process of Bromozinc(1+);methanidylcyclohexane

There total 2 articles about Bromozinc(1+);methanidylcyclohexane 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:

Cyclohexylmethyl bromide (2550-36-9) + zinc (7440-66-6) → (cyclohexylmethyl)zinc(II) bromide (135579-86-1)

Guidance literature:

With iodine; In N,N-dimethyl acetamide; at 80 ℃; for 16h; Inert atmosphere;

DOI:10.1021/ol303129p

Reference yield:

Cyclohexylmethyl bromide (2550-36-9) + zinc(II) chloride (7646-85-7,24359-56-6) → (cyclohexylmethyl)zinc(II) bromide (135579-86-1)

Guidance literature:

With lithium chloride; In tetrahydrofuran; at 20 ℃; Flow reactor;

DOI:10.1021/acs.orglett.8b03156

Reference yield: 100.0%

4-[(4-bromo-6-cyclopropyl-1-methyl-1H-benzimidazol-2-yl)carbonyl]-1-(trans-4-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}cyclohexyl)-2-piperazinone + (cyclohexylmethyl)zinc(II) bromide (135579-86-1) → 4-{[4-(cyclohexylmethyl)-6-cyclopropyl-1-methyl-1H-benzimidazol-2-yl]carbonyl}-1-(trans-4-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}cyclohexyl)-2-piperazinone

Guidance literature:

With copper(l) iodide; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; at 20 ℃; for 49h;

upstream raw materials:

Cyclohexylmethyl bromide

zinc

zinc(II) chloride

Downstream raw materials:

C₁₈H₃₀

1-cyclohexyl-4-phenylbutane

methyl 2-[4-(cyclohexylmethyl)phenyl]propanoate

5-bromo-2-(cyclohexylmethyl)-3-methylpyrimidin-4(3H)-one

Refernces

• 1、 Prieri, Marion,Frita, Rosangela,Probst, Nicolas,Sournia-Saquet, Alix,Bourotte, Marilyne,Déprez, Benoit,Baulard, Alain R.,Willand, Nicolas. "Efficient analoging around ethionamide to explore thioamides bioactivation pathways triggered by boosters in Mycobacterium tuberculosis". . p. 35 - 46. Retrieved 2018/10/02.
• 2、 Price, Gregory A.,Bogdan, Andrew R.,Aguirre, Ana L.,Iwai, Toshiyuki,Djuric, Stevan W.,Organ, Michael G.. "Continuous flow Negishi cross-couplings employing silica-supported: Pd-PEPPSI - IPr precatalyst". . p. 4733 - 4742. Retrieved 2016/07/11.