Rivizor

Base Information

• Chemical Name: Rivizor
• CAS No.: 129731-10-8
• Molecular Formula: C₁₆H₁₃ClN₆
• Molecular Weight: 324.772
• Hs Code.: 2933990090
• UNII: 1E2S9YXV2A
• DSSTox Substance ID: DTXSID20156230
• Nikkaji Number: J473.358D
• Wikipedia: Vorozole
• Wikidata: Q7941876
• NCI Thesaurus Code: C1601
• Pharos Ligand ID: CR2NGF5QP6FS
• Metabolomics Workbench ID: 154547
• ChEMBL ID: CHEMBL224060
• Mol file: 129731-10-8.mol

Synonyms:(N-methyl-(11C))vorozole;6-((4-chlorophenyl)-(1H-1,2,4-triazol-1-yl)methyl)-1-methyl-1H-benzotriazole;R 76713;R 83839;R 83842;R-76713;R-83839;R-83842;vorozole;vorozole, (+)-isomer

Chemical Property of Rivizor

Chemical Property:

• Vapor Pressure: 3.15E-13mmHg at 25°C
• Melting Point: 130-135°
• Boiling Point: 575.1°C at 760 mmHg
• PKA: 1.87±0.11(Predicted)
• Flash Point: 301.6°C
• PSA: 61.42000
• Density: 1.44
• LogP: 2.85090
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 324.0890221
• Heavy Atom Count: 23
• Complexity: 402

Purity/Quality:

98%Min ^*data from raw suppliers

VOROZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=CC(=C2)C(C3=CC=C(C=C3)Cl)N4C=NC=N4)N=N1
• Isomeric SMILES: CN1C2=C(C=CC(=C2)[C@H](C3=CC=C(C=C3)Cl)N4C=NC=N4)N=N1
• Uses: Antineoplastic.
• Therapeutic Function: Antineoplastic

Technology Process of Rivizor

There total 8 articles about Rivizor 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:

2-[(4-chlorophenyl)(1-methyl-1H-benzotriazol-6-yl)methyl]hydrazinecarboxaldehyde (157332-81-5) + formamidine acetic acid (3473-63-0) → R-76713 (118949-22-7,129731-10-8,132042-69-4)

Guidance literature:

In methanol; water;

Reference yield:

C15H12ClN3O2 (914401-82-4) → C16H13ClN6 + R-76713 (118949-22-7,129731-10-8,132042-69-4)

Guidance literature:

Multi-step reaction with 6 steps

1: N-benzyl-N,N,N-triethylammonium chloride / N,N-dimethyl acetamide

2: hydrogen

3: sodium nitrite

4: sodium tetrahydroborate

5: thionyl chloride

6: sodium hydride / N,N-dimethyl-formamide

With sodium tetrahydroborate; thionyl chloride; N-benzyl-N,N,N-triethylammonium chloride; hydrogen; sodium hydride; sodium nitrite; In N,N-dimethyl acetamide; N,N-dimethyl-formamide;

DOI:10.1021/op990081n

Reference yield:

C14H11ClN2O3 (914401-83-5) → C16H13ClN6 + R-76713 (118949-22-7,129731-10-8,132042-69-4)

Guidance literature:

Multi-step reaction with 5 steps

1: hydrogen

2: sodium nitrite

3: sodium tetrahydroborate

4: thionyl chloride

5: sodium hydride / N,N-dimethyl-formamide

With sodium tetrahydroborate; thionyl chloride; hydrogen; sodium hydride; sodium nitrite; In N,N-dimethyl-formamide;

DOI:10.1021/op990081n

upstream raw materials:

2-[(4-chlorophenyl)(1-methyl-1H-benzotriazol-6-yl)methyl]hydrazinecarboxaldehyde

formamidine acetic acid

1,2,4-Triazole

4-chloro-2-methylaminonitrobenzene

Refernces

• 1、 -. "Process for preparing enantiomerically pure 6-[(4-chlorophenyl) (1H-1,2,4-triazol-1-yl) methyl]-1-methyl-1H-benzotrizole". . . Retrieved 2008/06/13.