2-Chloro-1,3-dimethyl-1,3,2-diazaborolidine

Base Information

• Chemical Name: 2-Chloro-1,3-dimethyl-1,3,2-diazaborolidine
• CAS No.: 17739-11-6
• Molecular Formula: C4H10BClN2
• Molecular Weight: 132.401
• DSSTox Substance ID: DTXSID60500157
• Nikkaji Number: J1.569.128J
• Mol file: 17739-11-6.mol

Synonyms:2-Chloro-1,3-dimethyl-1,3,2-diazaborolidine;17739-11-6;OQGPVQGBLLTIES-UHFFFAOYSA-;DTXSID60500157;InChI=1/C4H10BClN2/c1-7-3-4-8(2)5(7)6/h3-4H2,1-2H3

Chemical Property of 2-Chloro-1,3-dimethyl-1,3,2-diazaborolidine

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 132.0625562
• Heavy Atom Count: 8
• Complexity: 80.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: B1(N(CCN1C)C)Cl

Technology Process of 2-Chloro-1,3-dimethyl-1,3,2-diazaborolidine

There total 1 articles about 2-Chloro-1,3-dimethyl-1,3,2-diazaborolidine 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: 80.0%

boron trichloride (10294-34-5) + triethylamine (121-44-8) + N,N`-dimethylethylenediamine (110-70-3) → 2-chloro-1,3-dimethyl-[1,3,2]diazaborolidine (17739-11-6) + triethylamine hydrochloride (554-68-7)

Guidance literature:

In Petroleum ether; boiling under nitrogene; distn.;

DOI:10.1007/BF00902432

Reference yield: 92.0%

2-chloro-1,3-dimethyl-[1,3,2]diazaborolidine (17739-11-6) + 2,3-dimethyl-2,3-butane diol (76-09-5) + 4-Octyne (1942-45-6) + dicyclopentadienylphenylzirconium(IV) chloride (75061-73-3) → (E)-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-octene (1093343-35-1)

Guidance literature:

With toluene-4-sulfonic acid; In tetrahydrofuran; toluene; under N2; soln. of chloroborane, alkyne, and Zr complex in toluene addedto mixt. of Pd complex/P-ligand in toluene, mixt. heated at 120° C for 12 h, evapn. under vac.; pinacol, THF, and TsOH added to residue, mixt. stirred at room temp. for 3 h; soln. filtered through Florisil, filtrate evapd. under vac., column chromy. (SiO2, hexane/ethyl acetate (20/1));

DOI:10.1039/b809433k

Reference yield: 90.0%

2-chloro-1,3-dimethyl-[1,3,2]diazaborolidine (17739-11-6) + N,N-diethyl-N'-phenyl-N'-trimethylsilyl urea (1146-59-4) → N',N'-Diethyl-N-phenyl-N-ureido-1,3-dimethyl-1,3,2-diazaborolidin (77091-47-5)

Guidance literature:

In Petroleum ether; byproducts: (CH3)3SiCl; to the soln. of urea/petroleum ether the soln. of borane/petroleum ether was added dropwise under N2, refluxed for 5 h; evapd. in vac., distn.; elem. anal.;

upstream raw materials:

boron trichloride

triethylamine

N,N`-dimethylethylenediamine

Downstream raw materials:

N-(1,3-dimethyl-[1,3,2]diazaborolidin-2-yl)-N-phenyl-acetamide

N-(1,3-dimethyl-[1,3,2]diazaborolidin-2-yl)-N-methyl-benzamide

1,3-dimethyl-2-phenylethinyl-1,3,2-diazaborolane

N',N'-Diethyl-N-phenyl-N-ureido-1,3-dimethyl-1,3,2-diazaborolidin