4-Benzofurazanamine, N,N-dimethyl-7-nitro-

Base Information

• Chemical Name: 4-Benzofurazanamine, N,N-dimethyl-7-nitro-
• CAS No.: 1455-87-4
• Molecular Formula: C8H8 N4 O3
• Molecular Weight: 208.1741
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40163082
• Nikkaji Number: J71.562J
• Wikidata: Q83031932
• ChEMBL ID: CHEMBL2409287
• Mol file: 1455-87-4.mol

Synonyms:1455-87-4;4-BENZOFURAZANAMINE, N,N-DIMETHYL-7-NITRO-;4-(Dimethylamino)-7-nitrobenzofurazan;BRN 0749530;N,N-dimethyl-4-nitro-2,1,3-benzoxadiazol-7-amine;Benzofurazan, 4-(dimethylamino)-7-nitro-;N,N-Dimethyl-7-nitrobenzofurazane-4-amine;N,N-Dimethyl-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine;N,N-Dimethyl-7-nitro-2,1,3-benzoxadiazol-4-amine;SCHEMBL6834711;CHEMBL2409287;DTXSID40163082;TQP0984;CCG-41583;N,N-Dimethylamino-7-nitrobenZofuraZan;LS-35352;N,N-Dimethyl-7-nitro-4-benzofurazanamine;CS-0093677;D75423;EN300-766936;7-Dimethylamino-4-nitrobenzo-2-oxa-1,3-diazole;SR-01000631648-1;N,N-Dimethyl-7-nitro-2,1,3-benzoxadiazol-4-amine #

Chemical Property of 4-Benzofurazanamine, N,N-dimethyl-7-nitro-

Chemical Property:

• Vapor Pressure: 7.4E-06mmHg at 25°C
• Boiling Point: 376.1°Cat760mmHg
• Flash Point: 181.3°C
• PSA: 87.98000
• Density: 1.459g/cm³
• LogP: 1.72020
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 208.05964013
• Heavy Atom Count: 15
• Complexity: 255

Purity/Quality:

NLT 98% ^*data from raw suppliers

N,N-Dimethylamino-7-nitrobenzofurazan ≥98%(NMR) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C2=NON=C12)[N+](=O)[O-]

Technology Process of 4-Benzofurazanamine, N,N-dimethyl-7-nitro-

There total 11 articles about 4-Benzofurazanamine, N,N-dimethyl-7-nitro- 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: 100.0%

dimethyl amine (124-40-3) + NBD chloride (10199-89-0) → N,N-dimethyl-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine (1455-87-4)

Guidance literature:

In methanol;

Reference yield: 82.0%

N,N-dimethylammonium chloride (506-59-2) + NBD chloride (10199-89-0) → N,N-dimethyl-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine (1455-87-4)

Guidance literature:

With triethylamine; In ethanol; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.orglett.0c01414

Reference yield:

4-azido-7-nitrobenzo[c][1,2,5]oxadiazole + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-amino-7-nitro-2,1,3-benzoxadiazole (10199-91-4) + N,N-dimethyl-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine (1455-87-4)

Guidance literature:

With copper dichloride; In water; at 80 ℃; for 24h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;

DOI:10.1016/j.tet.2013.04.091

upstream raw materials:

5-chloro-4-nitrobenzo[c]-[1,2,5]oxadiazole

dimethyl amine

NBD chloride

5-chlorobenzofurazan-1-oxide

Refernces

• 1、 Lawrence,Frei. "-". . p. 2046,2048. Retrieved 1972.
• 2、 Zhou, Junliang,Lin, Xianfeng,Ji, Xin,Xu, Shuang,Liu, Chang,Dong, Xiaochun,Zhao, Weili,Zhao, Weili. "Azetidine-Containing Heterospirocycles Enhance the Performance of Fluorophores". supporting information. p. 4413 - 4417. Retrieved 2020/06/05.