2,1,3-Benzoxadiazole-4,5-diamine

Base Information

• Chemical Name: 2,1,3-Benzoxadiazole-4,5-diamine
• CAS No.: 70015-83-7
• Molecular Formula: C₆H₆N₄O
• Molecular Weight: 150.14
• DSSTox Substance ID: DTXSID10343672
• Nikkaji Number: J3.180.591K
• Wikidata: Q82115099
• Mol file: 70015-83-7.mol

Synonyms:2,1,3-Benzoxadiazole-4,5-diamine;70015-83-7;4,5-Diaminobenzofurazan;Benzo[c][1,2,5]oxadiazole-4,5-diamine;Maybridge1_004387;SCHEMBL9533749;HMS553P11;DTXSID10343672;CCG-41277;JFD 02096;MFCD00168451;STK693370;2,1,3-Benzooxadiazole-4,5-diamine;AKOS005604862;2,1,3-Benzoxadiazole-4,5-diamine #;CS-0270777;FT-0609006;EN300-767950;SR-01000631367-1

Chemical Property of 2,1,3-Benzoxadiazole-4,5-diamine

Chemical Property:

• Vapor Pressure: 1.71E-05mmHg at 25°C
• Melting Point: 152oC
• Boiling Point: 364.2oC at 760 mmHg
• PKA: 1.88±0.10(Predicted)
• Flash Point: 174.1oC
• PSA: 90.96000
• Density: 1.542g/cm3
• LogP: 1.54960
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 150.05416083
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

98%Min ^*data from raw suppliers

4,5-DIAMINOBENZOFURAZAN 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NON=C2C(=C1N)N

Technology Process of 2,1,3-Benzoxadiazole-4,5-diamine

There total 16 articles about 2,1,3-Benzoxadiazole-4,5-diamine 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%

4-amino-5-(phenylazo)benzofuran → 4,5-diamino-2,1,3-benzoxadiazole (70015-83-7)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; under 760 Torr; Ambient temperature;

DOI:10.1007/BF01184894

Reference yield: 48.0%

spiro-imidazo<4,5-e>-2,1,3-benzoxadiazole>-1'-oxide (130256-98-3) → 4,5-diamino-2,1,3-benzoxadiazole (70015-83-7)

Guidance literature:

With sodium dithionite;

DOI:10.1002/jhet.5570410616

Reference yield:

benzo[1,2,5]oxadiazole-4,5-dione dioxime (35142-79-1) → 4,7-Diamino-2,1,3-benzoxadiazole (215860-46-1) + 4,5-diamino-2,1,3-benzoxadiazole (70015-83-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In diethyl ether; Ambient temperature;

DOI:10.1016/0040-4020(72)80137-6

upstream raw materials:

benzo[1,2-c;3,4-c']bis[1,2,5]oxadiazole

benzo[1,2,5]oxadiazole-4,5-dione dioxime

[1,2,5]thiadiazolo[3',4':3,4]benzo[1,2-c][1,2,5]oxadiazole

spiro-imidazo<4,5-e>-2,1,3-benzoxadiazole>-1'-oxide

Downstream raw materials:

<1,2,5>oxadiazolo<3,4-f>quinoxaline

8H-imidazo<4,5-e>-2,1,3-benzoxadiazole

7,8-diphenyl-[1,2,5]oxadiazolo[3,4-f]quinoxaline

Refernces

• 1、 Samsonov, V. A.,Volodarskii, L. B.,Korolev, V. L.,Khisamutdinov, G. Kh.. "INTERACTION OF 4-AMINOBENZOFURAZAN WITH ARYLDIAZONIUM SALTS". . p. 1243 - 1250. Retrieved 2007/10/03.
• 2、 Uno,Takagi,Tomoeda. "Synthesis and reaction of furazanobenzothiadiazole and related compounds". . p. 3896 - 3901. Retrieved 2007/10/05.