2',5-Dichloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)benzophenone

Base Information

• Chemical Name: 2',5-Dichloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)benzophenone
• CAS No.: 54196-62-2
• Molecular Formula: C17H13 Cl2 N3 O2
• Molecular Weight: 362.215
• European Community (EC) Number: 259-023-1
• DSSTox Substance ID: DTXSID00202547
• Nikkaji Number: J266.826B
• Wikidata: Q83075846
• Mol file: 54196-62-2.mol

Synonyms:54196-62-2;EINECS 259-023-1;2',5-Dichloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)benzophenone;C17H13Cl2N3O2;SCHEMBL11819543;DTXSID00202547;AXAAMTSBUQOVSO-UHFFFAOYSA-N;C17-H13-Cl2-N3-O2;2',5-dichloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl] benzophenone;2',5-dichloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzophenone;[5-Chloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)phenyl](2-chlorophenyl)methanone;{5-chloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]phenyl}(2-chlorophenyl)methanone

Chemical Property of 2',5-Dichloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)benzophenone

Chemical Property:

• Boiling Point: 619.8°Cat760mmHg
• Flash Point: 328.7°C
• PSA: 68.01000
• Density: 1.43g/cm³
• LogP: 3.60580
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 361.0384821
• Heavy Atom Count: 24
• Complexity: 454

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C(N1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)CO

Technology Process of 2',5-Dichloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)benzophenone

There total 1 articles about 2',5-Dichloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)benzophenone 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:

→ 5-chloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)-2'-chlorobenzophenone (54196-62-2)

Guidance literature:

aus dem Triazolderivat 6b mit CH2O;

DOI:10.1021/jm00230a016

Reference yield: 81.0%

phthalimide (136918-14-4,85-41-6) + 5-chloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)-2'-chlorobenzophenone (54196-62-2) → N-<<4-<4-Chloro-2-(2-chlorobenzoyl)phenyl>-5-methyl-4H-1,2,4-triazol-3-yl>methyl>phthalimide (54196-64-4)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; for 23h;

DOI:10.1002/jhet.5570170331

Reference yield:

sodium hydrogencarbonate (144-55-8) + 5-chloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)-2'-chlorobenzophenone (54196-62-2) → triazolam (28911-01-5)

Guidance literature:

With triethylamine; In tetrahydrofuran; sodium hydroxide; dichloromethane;

Downstream raw materials:

N-<<4-<4-Chloro-2-(2-chlorobenzoyl)phenyl>-5-methyl-4H-1,2,4-triazol-3-yl>methyl>phthalimide

triazolam