(5Z)-1,1-Dimethyl-4-(propan-2-yl)-5-[(propan-2-yl)imino]-4,5-dihydro-1H-1,2,4-triazol-1-ium-3-olate

Base Information

• Chemical Name: (5Z)-1,1-Dimethyl-4-(propan-2-yl)-5-[(propan-2-yl)imino]-4,5-dihydro-1H-1,2,4-triazol-1-ium-3-olate
• CAS No.: 32515-30-3
• Molecular Formula: C10H20 N4 O
• Molecular Weight: 212.295
• DSSTox Substance ID: DTXSID10544965
• NSC Number: 160264
• Mol file: 32515-30-3.mol

Synonyms:32515-30-3;DTXSID10544965;NSC160264;NSC-160264;(5Z)-1,1-Dimethyl-4-(propan-2-yl)-5-[(propan-2-yl)imino]-4,5-dihydro-1H-1,2,4-triazol-1-ium-3-olate

Chemical Property of (5Z)-1,1-Dimethyl-4-(propan-2-yl)-5-[(propan-2-yl)imino]-4,5-dihydro-1H-1,2,4-triazol-1-ium-3-olate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 212.16371127
• Heavy Atom Count: 15
• Complexity: 305

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N=C1N(C(=N[N+]1(C)C)[O-])C(C)C

Technology Process of (5Z)-1,1-Dimethyl-4-(propan-2-yl)-5-[(propan-2-yl)imino]-4,5-dihydro-1H-1,2,4-triazol-1-ium-3-olate

There total 4 articles about (5Z)-1,1-Dimethyl-4-(propan-2-yl)-5-[(propan-2-yl)imino]-4,5-dihydro-1H-1,2,4-triazol-1-ium-3-olate 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: 93.0%

1,1-dimethyl-4-tert-butyl-3,5-dioxo-1,2,4-triazolidinium hydroxide inner salt (54930-99-3) + diisopropyl-carbodiimide (693-13-0) → 1,1-dimethyl-4-isopropyl-5-(isopropylimino)-3-oxo-1,2,4-triazolidinium hydroxide inner salt (32515-30-3)

Guidance literature:

at 96 ℃; for 1h;

DOI:10.1021/jo00360a016

Reference yield: 14.0%

N,N-dimethylcarbamoyl azide (13750-17-9) + diisopropyl-carbodiimide (693-13-0) → anhydro-3-hydroxy-1,4-diisopropyl-5-(dimethylamino)-1,2,4-triazolium hydroxide (101518-26-7) + 1,1-dimethyl-4-isopropyl-5-(isopropylimino)-3-oxo-1,2,4-triazolidinium hydroxide inner salt (32515-30-3)

Guidance literature:

In dichloromethane; for 34h; Irradiation;

DOI:10.1021/jo00360a016

Reference yield:

C5H9N3OS (55052-36-3) + diisopropyl-carbodiimide (693-13-0) → 1,1-dimethyl-4-isopropyl-5-(isopropylimino)-3-oxo-1,2,4-triazolidinium hydroxide inner salt (32515-30-3)

Guidance literature:

In benzene; for 1.5h; Heating;

DOI:10.1021/jo00360a016

upstream raw materials:

1,1-dimethyl-4-tert-butyl-3,5-dioxo-1,2,4-triazolidinium hydroxide inner salt

diisopropyl-carbodiimide

N,N-dimethylcarbamoyl azide

C₅H₉N₃OS

Downstream raw materials:

1,3-diisopropylurea

N-isopropyl-2,2-dimethylhydrazinecarboxamide

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 32515-30-3 (5Z)-1,1-dimethyl-3-oxo-4-(propan-2-yl)-5-(propan-2-ylimino)-1,2,4-triazolidin-1-ium

Send

Send

Metric Ton KG G Pound L ML

Send

Send