4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane

Base Information

• Chemical Name: 4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane
• CAS No.: 67562-19-0
• Molecular Formula: C9H19BO2
• Molecular Weight: 170.06
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID90435589
• Nikkaji Number: J1.466.737G
• Wikidata: Q82250630
• Mol file: 67562-19-0.mol

Synonyms:67562-19-0;1-Propylboronic acid pinacol ester;4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane;1-Propylboronicacidpinacolester,98%;n-Propylboronicacidpinacol;4,4,5,5-Tetramethyl-2-n-propyl-1,3,2-dioxaborolane;SCHEMBL12018785;DTXSID90435589;MFCD12546187;AKOS034830317;AS-75561;CS-0175902;D95698;EN300-205604;2-Propyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propyl-[1,3,2]dioxaborolane

Chemical Property of 4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane

Chemical Property:

• Refractive Index: 1.4140
• Boiling Point: 166-168℃
• Flash Point: 47°(117°F)
• PSA: 18.46000
• Density: 0.87±0.1 g/cm3(Predicted)
• LogP: 2.48860
• Water Solubility.: Not miscible or difficult to mix with water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.1478100
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

1-PropylboronicAcidPinacolEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)CCC

Technology Process of 4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane

There total 18 articles about 4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane 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: 88.0%

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (61676-62-8) + 1-iodo-propane (107-08-4) → 4,4,5,5-tetramethyl-2-n-propyl-1,3,2-dioxaborolane (67562-19-0)

Guidance literature:

With tert.-butyl lithium; In diethyl ether; pentane; at -105 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1002/chem.202000599

Reference yield: 82.0%

(Z)-1-propenyl bromide (590-13-6) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 4,4,5,5-tetramethyl-2-n-propyl-1,3,2-dioxaborolane (67562-19-0)

Guidance literature:

RhCl(PPh₃)3; In diethyl ether; at 20 ℃; for 24h; under 9375940 Torr;

DOI:10.1039/b004275g

Reference yield: 71.0%

2,3-dimethyl-2,3-butane diol (76-09-5) + boron tribromide (10294-33-4) + cyclopropane (75-19-4) → 4,4,5,5-tetramethyl-2-n-propyl-1,3,2-dioxaborolane (67562-19-0)

Guidance literature:

boron tribromide; cyclopropane; With phenylsilane; In dichloromethane; at 20 ℃; for 12.5h; Schlenk technique;

2,3-dimethyl-2,3-butane diol; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201811036

upstream raw materials:

tripropylborane

isopropyl alcohol

acetone

(Z)-1-propenyl bromide

Downstream raw materials:

(S)-2-methyl-1-pentanol