4-[(E)-but-2-enyl]-9-hydroxy-3H-1,4-benzodiazepin-5-one

Base Information

Chemical Name:4-[(E)-but-2-enyl]-9-hydroxy-3H-1,4-benzodiazepin-5-one
CAS No.:94295-81-5
Molecular Formula:C₁₃H₁₄N₂O₂
Molecular Weight:230.266
Hs Code.:
NSC Number:343683
DSSTox Substance ID:DTXSID20421753
ChEMBL ID:CHEMBL126906

Synonyms:NSC343683;94295-81-5;CHEMBL126906;DTXSID20421753;NSC-343683

Suppliers and Price of 4-[(E)-but-2-enyl]-9-hydroxy-3H-1,4-benzodiazepin-5-one

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 5 raw suppliers

Chemical Property of 4-[(E)-but-2-enyl]-9-hydroxy-3H-1,4-benzodiazepin-5-one

Chemical Property:

Vapor Pressure:3.04E-09mmHg at 25°C
Boiling Point:464.3°Cat760mmHg
Flash Point:234.6°C
Density:1.18g/cm³
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:230.105527694
Heavy Atom Count:17
Complexity:338

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=CCN1CC=NC2=C(C1=O)C=CC=C2O
Isomeric SMILES:C/C=C/CN1CC=NC2=C(C1=O)C=CC=C2O

Technology Process of 4-[(E)-but-2-enyl]-9-hydroxy-3H-1,4-benzodiazepin-5-one

There total 4 articles about 4-[(E)-but-2-enyl]-9-hydroxy-3H-1,4-benzodiazepin-5-one 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:

: 94295-95-1
N-((Z)-But-2-enyl)-3-hydroxy-2-nitro-N-(2-oxo-ethyl)-benzamide

: 94295-81-5
4-((E)-But-2-enyl)-9-hydroxy-3,4-dihydro-benzo[e][1,4]diazepin-5-one

Guidance literature:: With iron; acetic acid; In methanol; for 2h; Yield given; Heating;
DOI:10.1021/jm00381a020

Reference yield:

: 602-00-6
3-hydroxy-2-nitrobenzoic acid

: 94295-81-5
4-((E)-But-2-enyl)-9-hydroxy-3,4-dihydro-benzo[e][1,4]diazepin-5-one

Guidance literature:: Multi-step reaction with 4 steps

1: 79 percent / dicyclohexylcarbodiimide / tetrahydrofuran / Ambient temperature

2: 1.) NaH / 1.) THF, RT, 1 h, 2.) THF, overnight

3: aq. HCl / acetone / 6 h / Ambient temperature

4: Fe, AcOH / methanol / 2 h / Heating

With hydrogenchloride; iron; sodium hydride; acetic acid; dicyclohexyl-carbodiimide; In tetrahydrofuran; methanol; acetone;
DOI:10.1021/jm00381a020

Reference yield:

: 94295-84-8
acetaldehyde diethyl acetal

: 94295-81-5
4-((E)-But-2-enyl)-9-hydroxy-3,4-dihydro-benzo[e][1,4]diazepin-5-one

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaH / 1.) THF, RT, 1 h, 2.) THF, overnight

2: aq. HCl / acetone / 6 h / Ambient temperature

3: Fe, AcOH / methanol / 2 h / Heating

With hydrogenchloride; iron; sodium hydride; acetic acid; In methanol; acetone;
DOI:10.1021/jm00381a020