7-Bromo-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-thione

Base Information

• Chemical Name: 7-Bromo-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-thione
• CAS No.: 34099-70-2
• Molecular Formula: C15H11BrN2S
• Molecular Weight: 331.236
• DSSTox Substance ID: DTXSID801190692
• Nikkaji Number: J615.887K
• ChEMBL ID: CHEMBL4206863

Synonyms:CHEMBL4206863;34099-70-2;SCHEMBL2843067;RGEBXTAQYWVMJZ-UHFFFAOYSA-N;7-Bromo-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-thione;DTXSID801190692;BDBM50452387;7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione;7-Bromo-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepine-2-thione;7-Bromo-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepine-2-thione;7-Bromo-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepine-2-thione #

Chemical Property of 7-Bromo-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-thione

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 329.98263
• Heavy Atom Count: 19
• Complexity: 376

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=S)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3

Technology Process of 7-Bromo-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-thione

There total 1 articles about 7-Bromo-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-thione 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:

→ 7-bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione (34099-70-2)

Guidance literature:

7-Brom-5-phenyl-1.3-dihydro-2H-1.4-benzodiazepinon-(2), P2S5, w.-freies Pyridin, Siedetemp., 3/4 h;

DOI:10.1021/jo01024a511

Reference yield: 67.0%

glycine (56-40-6,18875-39-3,25718-94-9) + 7-bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione (34099-70-2) → C17H14BrN3O2 (612527-22-7)

Guidance literature:

With sodium carbonate; In ethanol; water; for 5h; Heating / reflux;

Reference yield: 67.0%

glycine (56-40-6,18875-39-3,25718-94-9) + 7-bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione (34099-70-2) → C17H14BrN3O2 (612527-22-7) + 7-bromo-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one (2894-61-3)

Guidance literature:

With water; sodium carbonate; In ethanol; for 5h; Heating / reflux;

Downstream raw materials:

7-bromo-3-(3-ethyl-3H-benzothiazol-2-ylidene)-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepine-2-thione

8-bromo-1-[(dimethylamino)methyl]-6-phenyl-4H-s-triazolo-[4,3-a][1,4]benzodiazepine

7-bromo-2-hydrazino-5-phenyl-3H-[1,4]benzodiazepine

C₁₇H₁₄BrN₃O₂

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