3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide

Base Information

Chemical Name:3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide
CAS No.:3693-14-9
Molecular Formula:C₁₇H₁₆ClN₃O
Molecular Weight:313.787
Hs Code.:
DSSTox Substance ID:DTXSID40190419
Nikkaji Number:J41.272D
Mol file:3693-14-9.mol

Synonyms:3693-14-9;3H-1,4-BENZODIAZEPINE, 7-CHLORO-2-DIMETHYLAMINO-5-PHENYL-, 4-OXIDE;BRN 0757292;7-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine;7-Chloro-2-dimethylamino-5-phenyl-3H-1,4-benzodiazepine 4-oxide;7-Chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepine 4-oxide;5-25-11-00431 (Beilstein Handbook Reference);DTXSID40190419;LS-34061;3H-1,4-Benzodiazepin-2-amine, 7-chloro-N,N-dimethyl-5-phenyl-, 4-oxide

Suppliers and Price of 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide

Chemical Property:

Vapor Pressure:2.91E-10mmHg at 25°C
Boiling Point:503.4°Cat760mmHg
Flash Point:258.3°C
PSA：44.35000
Density:1.24g/cm³
LogP:2.68730
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:313.0981898
Heavy Atom Count:22
Complexity:469

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3

Technology Process of 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide

There total 1 articles about 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide 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:

: 3693-14-9
7-Chloro-2-dimethylamino-5-phenyl-3H-1,4-benzodiazepine 4-Oxide

Guidance literature:: 6-Chlor-2-chlormethyl-4-phenylchinazolin-3-oxid, HN(CH3)2;

Reference yield: 82.0%

: 108-24-7
acetic anhydride

: 3693-14-9
7-Chloro-2-dimethylamino-5-phenyl-3H-1,4-benzodiazepine 4-Oxide

: 76458-41-8
3-Acetoxy-7-chloro-2-dimethylamino-5-phenyl-3H-1,4-benzodiazepine

Guidance literature:: at 100 ℃; for 0.333333h;
DOI:10.1002/jhet.5570170504

Reference yield:

: 3693-14-9
7-Chloro-2-dimethylamino-5-phenyl-3H-1,4-benzodiazepine 4-Oxide

: 76458-70-3
7-Chloro-2-dimethylamino-5-phenyl-3-piperidinyl-3H-1,4-benzodiazepine

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / 0.33 h / 100 °C

2: 85 percent / 1N aq. sodium hydroxide / dioxane; ethanol / 3 h / Ambient temperature

3: 78 percent / toluene / 4 h / Heating

With sodium hydroxide; In 1,4-dioxane; ethanol; toluene;
DOI:10.1002/jhet.5570170504