1-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethyl-1H-pyrazole hydrobromide

Base Information

• Chemical Name: 1-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethyl-1H-pyrazole hydrobromide
• CAS No.: 132369-02-9
• Molecular Formula: C8H12 N4 . Br H
• Molecular Weight: 245.122
• Hs Code.: 2933990090
• NSC Number: 379414
• DSSTox Substance ID: DTXSID70380326
• Mol file: 132369-02-9.mol

Synonyms:132369-02-9;1-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethyl-1H-pyrazole hydrobromide;1-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole;hydrobromide;1-(4,5-Dihydro-1H-imidazol-2-yl)-3,5-dimethyl-1H-pyrazole HBr;1-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-3,5-DIMETHYL-1H-PYRAZOLEHYDROBROMIDE;SCHEMBL4080238;DTXSID70380326;HDUOMQKYHVVNSA-UHFFFAOYSA-N;1-(4,5-Dihydro-2-imidazolyl)-3,5-dimethylpyrazole Hydrobromide;MFCD00053026;NSC379414;AKOS015908929;AS-9275;NSC-379414;BP-13050;CS-0316533;FT-0605642;F20134;A909332;1H-Pyrazole,1-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethyl-, hydrobromide (1:1);1H-Pyrazole,1-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethyl-,hydrobromide(1:1)

Chemical Property of 1-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethyl-1H-pyrazole hydrobromide

Chemical Property:

• Vapor Pressure: 0.00106mmHg at 25°C
• Melting Point: 305 °C
• Boiling Point: 301.3°Cat760mmHg
• Flash Point: 136°C
• PSA: 42.21000
• Density: g/cm³
• LogP: 1.02970
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 244.03236
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

1-(4,5-Dihydro-1H-imidazol-2-yl)-3,5-dimethyl-1H-pyrazolehydrobromide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1C2=NCCN2)C.Br

Technology Process of 1-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethyl-1H-pyrazole hydrobromide

There total 1 articles about 1-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethyl-1H-pyrazole hydrobromide 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: 47.0%

3-acetylpentane-2,4-dione (815-68-9) + 2-hydrazino-2-imidazoline hydrobromide (55959-84-7) → 2-(3,5-dimethylpyrazolyl)-4,5-dihydroimidazole hydrobromide (132369-02-9) + 4-acetyl-1-(2-imidazolinyl)-3,5-dimethylpyrazole (2-imidazolinyl)hydrazone dihydrobromide (132369-01-8)

Guidance literature:

With hydrogen bromide; In methanol; for 48h; Ambient temperature;

DOI:10.1002/jhet.5570270608

Reference yield: 99.0%

3-[5-(2-aminooxy-ethoxy)-indol-1yl]-3-phenyl-propionic acid ethyl ester (445490-69-7) + 2-(3,5-dimethylpyrazolyl)-4,5-dihydroimidazole hydrobromide (132369-02-9) → 3-(5-{2-[N-(4,5-Dihydro-1H-imidazol-2-yl)-aminooxy]-ethoxy}-indol-1-yl)-3-phenyl-propionic acid ethyl ester (445490-70-0)

Guidance literature:

In methanol; for 120h;

DOI:10.1016/j.bmcl.2005.01.028

Reference yield: 8.5%

1,5-Bis(4-nitrophenoxy)pentane (14467-60-8) + 2-(3,5-dimethylpyrazolyl)-4,5-dihydroimidazole hydrobromide (132369-02-9) + trifluoroacetic acid (76-05-1) → {4-[5-(p-aminophenoxy)-pentyloxy]-phenyl}-(4,5-dihydro-1H-imidazol-2-yl)-amine, trifluoroacetic acid salt

Guidance literature:

1,5-Bis(4-nitrophenoxy)pentane; With hydrogen; platinum(IV) oxide; In ethanol; ethyl acetate; for 4h; under 2844.39 Torr;

2-(3,5-dimethylpyrazolyl)-4,5-dihydroimidazole hydrobromide; With 4-methyl-morpholine; In 1,4-dioxane; dichloromethane; at 20 - 60 ℃; for 72h;

trifluoroacetic acid; In water; acetonitrile;

upstream raw materials:

3-acetylpentane-2,4-dione

2-hydrazino-2-imidazoline hydrobromide

Downstream raw materials:

3-(5-{2-[N-(4,5-Dihydro-1H-imidazol-2-yl)-aminooxy]-ethoxy}-indol-1-yl)-3-phenyl-propionic acid ethyl ester