4,4-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one

Base Information

• Chemical Name: 4,4-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one
• CAS No.: 219489-09-5
• Molecular Formula: C₁₄H₂₃BO₃
• Molecular Weight: 250.146
• Hs Code.: 2934999090
• European Community (EC) Number: 691-595-1
• DSSTox Substance ID: DTXSID40436940
• Wikidata: Q82252289
• Mol file: 219489-09-5.mol

Synonyms:219489-09-5;4,4-(Dimethylcyclohex-2-en-1-one)-2-boronic acid, pinacol ester;4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one;4,4-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-enone;4,4-(Dimethylcyclohex-2-enone)-2-boronic acid pinacol ester;3,3-Dimethyl-6-oxocyclohex-1-ene-1-boronic acid, pinacol ester;SCHEMBL1701535;DTXSID40436940;MMYLPQABFZSMCP-UHFFFAOYSA-N;MFCD09027074;AKOS015893486;AT16288;PS-9711;CS-0176812;A878858;J-014366;4,4-(Dimethyl cyclohex-2-en-1-one)-2-boronic acid pinacol ester;4,4-(Dimethylcyclohex-2-enone)-2-boronic acid, pinacol ester, AldrichCPR;4,4-(dimethylcyclohex-2-en-1-one)-2-boronic acid, pinacol ester, AldrichCPR

Chemical Property of 4,4-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.473
• Boiling Point: 295.8°Cat760mmHg
• Flash Point: 132.7°C
• PSA: 35.53000
• Density: 1g/cm³
• LogP: 2.93330
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 250.1740248
• Heavy Atom Count: 18
• Complexity: 391

Purity/Quality:

97% ^*data from raw suppliers

3,3-Dimethyl-6-oxocyclohex-1-ene-1-boronic acid, pinacol ester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(CCC2=O)(C)C

Technology Process of 4,4-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one

There total 2 articles about 4,4-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one 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:

2-iodo-4,4-dimethyl-cyclohex-2-enone (157952-85-7) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclo-hex-2-en-1-one (219489-09-5)

Guidance literature:

With triethylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; at 80 ℃; for 18h;

2-iodo-4,4-dimethyl-cyclohex-2-enone; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In 1,4-dioxane; at 80 ℃; for 18h;

Reference yield:

→ 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclo-hex-2-en-1-one (219489-09-5)

Guidance literature:

upstream raw materials:

2-iodo-4,4-dimethyl-cyclohex-2-enone

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

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