AKOS BB-7021

Base Information

• Chemical Name: AKOS BB-7021
• CAS No.: 36389-13-6
• Molecular Formula: C7H3N3O2
• Molecular Weight: 161.12
• Hs Code.: 2934999090
• Mol file: 36389-13-6.mol

Synonyms:AKOS BB-7021;2,1,3-BENZOXADIAZOLE-5-CARBONITRILE, 1-OXIDE

Chemical Property of AKOS BB-7021

Chemical Property:

• Boiling Point: 347.1±34.0 °C(Predicted)
• PKA: 1.48±0.50(Predicted)
• PSA: 75.28000
• Density: 1.54±0.1 g/cm3(Predicted)
• LogP: 1.12798

Purity/Quality:

99% ^*data from raw suppliers

2,1,3-BENZOXADIAZOLE-5-CARBONITRILE, 1-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of AKOS BB-7021

There total 10 articles about AKOS BB-7021 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: 90.0%

5-benzofuroxanaldehyde oxime (241818-88-2) → 5-benzofuroxancarbonitrile (36389-13-6)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

DOI:10.1023/A:1018974409622

Reference yield:

1-oxy-benzo[1,2,5]oxadiazole-5-carboxylic acid amide (36389-09-0) → 5-benzofuroxancarbonitrile (36389-13-6)

Guidance literature:

With phosphorus pentoxide; In quinoline;

DOI:10.1021/jm00273a012

Reference yield:

4-Aminobenzonitrile (873-74-5) → 5-benzofuroxancarbonitrile (36389-13-6)

Guidance literature:

Multi-step reaction with 5 steps

1: acetic acid / 0.25 h / Heating

2: 60percent nitric acid, conc. sulfuric acid / 1.) 0 deg C, 10 min, 2.) RT, 30 min

3: conc. sulfuric acid / 0.25 h / 100 °C

4: 1.) aq. HCl, NaNO₂, 2.) aq. NaN₃, sodium acetate / 1.) 0 deg C, 15 min

5: toluene / 2 h / Heating

With hydrogenchloride; sodium azide; sulfuric acid; nitric acid; sodium acetate; sodium nitrite; In acetic acid; toluene;

DOI:10.1021/jm00010a023

upstream raw materials:

1-oxy-benzo[1,2,5]oxadiazole-5-carboxylic acid amide

4-azido-3-nitrobenzonitrile

5-benzofuroxanaldehyde oxime

5-formylbenzo[c][1,2,5]oxadiazole 1-oxide

Downstream raw materials:

4-Amino 3-nitro-benzonitrile

3-amino-4-nitrobenzonitrile

Refernces

• 1、 Monge, Antonio,Palop, Juan A.,Cerain, Adela Lopez de,Senador, Virginia,Martinez-Crespo, Francisko J.,et al.. "Hypoxia-Selective Agents Derived from Quinoxaline 1,4-Di-N-oxides". . p. 1786 - 1792. Retrieved 2007/10/02.