Ibazole nitrile

Base Information

• Chemical Name: Ibazole nitrile
• CAS No.: 32563-71-6
• Molecular Formula: C₁₆H₂₀N₄S₂
• Molecular Weight: 332.494
• Hs Code.: 2934999090
• NSC Number: 34412
• UNII: 1MN53D1EQ0
• DSSTox Substance ID: DTXSID10186263
• Nikkaji Number: J48.826G
• Wikidata: Q83057510
• Mol file: 32563-71-6.mol

Synonyms:Ibazole nitrile;32563-71-6;NSC34412;1MN53D1EQ0;NSC-34412;Thiazolo[5,4-d]thiazole-2,5-dibutyronitrile, .gamma.,.gamma.,.gamma.',.gamma.'-tetramethyl-;NSC 34412;BRN 1023634;.gamma.,.gamma.,.gamma.',.gamma.'-Tetramethylthiazolo[5,4-d]thiazole-2,5-dibutyronitrile;.GAMMA.,.GAMMA.,.GAMMA.',.GAMMA.'-TETRAMETHYLTHIAZOLO(5,4-D)THIAZOLE-2,5-DIBUTYRONITRILE;THIAZOLO(5,4-D)THIAZOLE-2,5-DIBUTYRONITRILE, .GAMMA.,.GAMMA.,.GAMMA.',.GAMMA.'-TETRAMETHYL-;gamma,gamma,gamma',gamma-Tetramethylthiazolo(5,4-d)thiazole-2,5-dibutyronitrile;UNII-1MN53D1EQ0;DTXSID10186263;Thiazolo(5,4-d)thiazole-2,5-dibutanenitrile, gamma,gamma,gamma',gamma'-tetramethyl-;Thiazolo(5,4-d)thiazole-2,5-dibutyronitrile, gamma,gamma,gamma',gamma'-tetramethyl-;Thiazolo[5,4-d]thiazole-2,5-dibutanenitrile, .gamma.,.gamma.,.gamma.',.gamma.'-tetramethyl-;.gamma.,.gamma.',.gamma.'-Tetramethylthiazolo[5,4-d]thiazole-2,5-dibutyronitrile;4-[5-(3-cyano-1,1-dimethyl-propyl)thiazolo[5,4-d]thiazol-2-yl]-4-methyl-pentanenitrile;Thiazolo[5,5-dibutanenitrile, .gamma.,.gamma.,.gamma.',.gamma.'-tetramethyl-;Thiazolo[5,5-dibutyronitrile, .gamma.,.gamma.,.gamma.',.gamma.'-tetramethyl-;.GAMMA.2,.GAMMA.2,.GAMMA.5,.GAMMA.5-TETRAMETHYLTHIAZOLO(5,4-D)THIAZOLE-2,5-DIBUTANENITRILE;THIAZOLO(5,4-D)THIAZOLE-2,5-DIBUTANENITRILE, .GAMMA.2,.GAMMA.2,.GAMMA.5,.GAMMA.5-TETRAMETHYL-;THIAZOLO(5,4-D)THIAZOLEDIBUTANENITRILE, .GAMMA.,.GAMMA.,.GAMMA.',.GAMMA.'-TETRAMETHYL-

Chemical Property of Ibazole nitrile

Chemical Property:

• Boiling Point: 509.4°Cat760mmHg
• Flash Point: 261.9°C
• PSA: 129.84000
• Density: 1.208g/cm³
• LogP: 4.91556
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 332.11293900
• Heavy Atom Count: 22
• Complexity: 453

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCC#N)C1=NC2=C(S1)N=C(S2)C(C)(C)CCC#N

Technology Process of Ibazole nitrile

There total 1 articles about Ibazole nitrile 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:

4,4-dimethyl-5-oxopentanenitrile (6140-61-0) + dithiooxamide (79-40-3) → 4,4'-dimethyl-4,4'-thiazolo[5,4-d]thiazole-2,5-diyl-bis-pentanenitrile (32563-71-6)

Guidance literature:

at 200 ℃;

DOI:10.1002/jps.2600510607

Reference yield:

4,4'-dimethyl-4,4'-thiazolo[5,4-d]thiazole-2,5-diyl-bis-pentanenitrile (32563-71-6) → 2,5-bis-(1,1-dimethyl-4,4-diphenyl-but-3-enyl)-thiazolo[5,4-d]thiazole (33328-49-3)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. NaOH / ethanol

2: aq. HCl

3: benzene; diethyl ether

4: Ac₂O

With hydrogenchloride; sodium hydroxide; acetic anhydride; In diethyl ether; ethanol; benzene;

DOI:10.1021/jm00290a018

Reference yield:

4,4'-dimethyl-4,4'-thiazolo[5,4-d]thiazole-2,5-diyl-bis-pentanenitrile (32563-71-6) → 4,4'-dimethyl-1,1,1',1'-tetraphenyl-4,4'-thiazolo[5,4-d]thiazole-2,5-diyl-bis-pentan-1-ol (33328-48-2)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. NaOH / ethanol

2: aq. HCl

3: benzene; diethyl ether

With hydrogenchloride; sodium hydroxide; In diethyl ether; ethanol; benzene;

DOI:10.1021/jm00290a018

upstream raw materials:

4,4-dimethyl-5-oxopentanenitrile

dithiooxamide

Downstream raw materials:

2,5-Bis(1,1-dimethylbutyl)thiazolo<5,4-d>thiazol

2,5-bis-(1,1-dimethyl-4,4-diphenyl-but-3-enyl)-thiazolo[5,4-d]thiazole

4,4'-dimethyl-1,1,1',1'-tetraphenyl-4,4'-thiazolo[5,4-d]thiazole-2,5-diyl-bis-pentan-1-ol

2,5-bis-[1,1-dimethyl-4-(toluene-4-sulfonyloxy)-butyl]-thiazolo[5,4-d]thiazole