1H-Pyrazole, 1,1'-methylenebis[3,5-dimethyl-

Base Information

• Chemical Name: 1H-Pyrazole, 1,1'-methylenebis[3,5-dimethyl-
• CAS No.: 28791-82-4
• Molecular Formula: C11H16N4
• Molecular Weight: 204.275
• DSSTox Substance ID: DTXSID00412902
• Nikkaji Number: J564.200K
• Wikidata: Q82220596
• Mol file: 28791-82-4.mol

Synonyms:28791-82-4;1H-Pyrazole, 1,1'-methylenebis[3,5-dimethyl-;SCHEMBL16447617;LGQXVRIHIPWAFZ-UHFFFAOYSA-;DTXSID00412902;bis(3,5-dimethylpyrazolyl)methane;InChI=1/C11H16N4/c1-8-5-10(3)14(12-8)7-15-11(4)6-9(2)13-15/h5-6H,7H2,1-4H3

Chemical Property of 1H-Pyrazole, 1,1'-methylenebis[3,5-dimethyl-

Chemical Property:

• Melting Point: 105-105.5 °C(Solv: benzene (71-43-2); hexane (110-54-3))
• Boiling Point: 160 °C(Press: 2 Torr)
• PSA: 35.64000
• Density: 1.13±0.1 g/cm3(Predicted)
• LogP: 1.81900
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.137496527
• Heavy Atom Count: 15
• Complexity: 199

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1CN2C(=CC(=N2)C)C)C

Technology Process of 1H-Pyrazole, 1,1'-methylenebis[3,5-dimethyl-

There total 9 articles about 1H-Pyrazole, 1,1'-methylenebis[3,5-dimethyl- 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: 100.0%

3,5-dimethyl-1-(trimethylsilyl)-1H-pyrazole (18290-96-5) + 3,5-Dimethyl-1-trimethylsilanyloxymethyl-1H-pyrazole (83283-57-2) → Hexamethyldisiloxane (107-46-0) + 1,1'-methylenebis(3,5-dimethyl-1H-pyrazole) (28791-82-4)

Guidance literature:

With aluminium trichloride; at 140 - 150 ℃; for 3h;

Reference yield: 85.0%

{Mo(H2CPz'2)(CO)2(π-allyl)Br} + 1,2-bis-(diphenylphosphino)ethane (1663-45-2) → {Mo(η2-dppe)(CO)2(π-allyl)Br} + 1,1'-methylenebis(3,5-dimethyl-1H-pyrazole) (28791-82-4)

Guidance literature:

In dichloromethane; soln. of dppe was added to a stirred soln. of (Mo(H2CPz'2)(CO)2(π-allyl)Br); reaction was monitored by IR-spectroscopy (every 10 min);; evapn. of solvent (vac.); recrystn. from CH2Cl2/MeOH;;

DOI:10.1016/0022-328X(91)86099-C

Reference yield: 80.0%

{Mo(H2CPz'2)(CO)2(π-allyl)Br} + bis-diphenylphosphinomethane (2071-20-7) → {Mo(η2-dppm)(CO)2(π-allyl)Br} + 1,1'-methylenebis(3,5-dimethyl-1H-pyrazole) (28791-82-4)

Guidance literature:

In dichloromethane; soln. of dppm was added to a stirred soln. of (Mo(H2CPz'2)(CO)2(π-allyl)Br); reaction was monitored by IR-spectroscopy (every 10 min);; evapn. of solvent (vac.); recrystn. from CH2Cl2/MeOH;;

DOI:10.1016/0022-328X(91)86099-C

upstream raw materials:

3,5-dimethyl-1-(trimethylsilyl)-1H-pyrazole

3,5-Dimethyl-1-trimethylsilanyloxymethyl-1H-pyrazole

3,5-dimethyl-1H-pyrazole

3,5-Diphenylpyrazole

Downstream raw materials:

phenyldimethylsilyl-bis(3,5-dimethylpyrazol-1-yl)methane

2,2-bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol

1-phenyl-2,2-bis(3,5-dimethylpyrazol-1-yl)ethane

N-phenyl-2,2'-bis(3,5-dimethylpyrazol-1-yl)thioacetamide