1-Oxoestazolam

Base Information

Chemical Name:1-Oxoestazolam
CAS No.:31262-82-5
Molecular Formula:C16H11 Cl N4 O
Molecular Weight:310.74
Hs Code.:
UNII:G4JQ545FZL
DSSTox Substance ID:DTXSID10185190
ChEMBL ID:CHEMBL1209
Mol file:31262-82-5.mol

Synonyms:1-ketoestazolam;1-oxo-estazolam;1-oxoestazolam

Suppliers and Price of 1-Oxoestazolam

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 2 raw suppliers

Chemical Property of 1-Oxoestazolam

Chemical Property:

PKA:5.29±0.40(Predicted)
PSA：63.30000
Density:1.49g/cm³
LogP:2.41290
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:310.0621387
Heavy Atom Count:22
Complexity:526

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=NNC(=O)N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4

Technology Process of 1-Oxoestazolam

There total 4 articles about 1-Oxoestazolam 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: 80.6%

: 39667-62-4
1-bromo-8-chloro-6-phenyl-1H-s-triazolo<4,3-a><1,4>benzodiazepine

: 31262-82-5
8-chloro-2,4-dihydro-6-phenyl-1H-s-triazolo<4,3-a><1,4>benzodiazepin-1-one

Guidance literature:: With phosphoric acid; at 118 - 121 ℃; for 6.66667h;
DOI:10.1021/jm00178a010

Reference yield: 64.4%

: 31262-81-4
3-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)carbazic acid ethyl ester

: 31262-82-5
8-chloro-2,4-dihydro-6-phenyl-1H-s-triazolo<4,3-a><1,4>benzodiazepin-1-one

Guidance literature:: at 197 - 207 ℃; for 0.25h;
DOI:10.1021/jm00178a010

Reference yield:

: 4547-02-8
7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione

: 31262-82-5
8-chloro-2,4-dihydro-6-phenyl-1H-s-triazolo<4,3-a><1,4>benzodiazepin-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / ethanol / 24 h / Heating

2: 64.4 percent / 0.25 h / 197 - 207 °C

In ethanol;
DOI:10.1021/jm00178a010