3,3-Di(methyl-d3)-3H-diazirine

Base Information

• Chemical Name: 3,3-Di(methyl-d3)-3H-diazirine
• CAS No.: 20686-76-4
• Molecular Formula: C₃H₆N₂
• Molecular Weight: 76.0464
• DSSTox Substance ID: DTXSID501302062
• Mol file: 20686-76-4.mol

Synonyms:3,3-Di(methyl-d3)-3H-diazirine;20686-76-4;DTXSID501302062;3,3-Bis(trideuteriomethyl)diazirine;3H-Diazirine, 3,3-di(methyl-d3)-

Chemical Property of 3,3-Di(methyl-d3)-3H-diazirine

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 76.090758676
• Heavy Atom Count: 5
• Complexity: 65

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(N=N1)C
• Isomeric SMILES: [2H]C([2H])([2H])C1(N=N1)C([2H])([2H])[2H]

Technology Process of 3,3-Di(methyl-d3)-3H-diazirine

There total 4 articles about 3,3-Di(methyl-d3)-3H-diazirine 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:

dimethyldiaziridine-d6 (20686-76-4) → 3,3-bis-trideuteriomethyl-3H-diazirine (20686-76-4)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In dimethyl sulfoxide; at 0 ℃; for 0.5h;

DOI:10.1021/ja00044a013

Reference yield:

[(2)H6]acetone (666-52-4) → 3,3-bis-trideuteriomethyl-3H-diazirine (20686-76-4)

Guidance literature:

With Ammonia T₃S; tert-hypochlorite; In deuteromethanol; at -35 ℃; for 4h;

DOI:10.1021/ja9724598

Reference yield:

[(2)H6]acetone (666-52-4) → dimethyldiaziridine-d6 (20686-76-4)

Guidance literature:

With tert-butylhypochlorite; ammonia; 1.) CH₃OH, -70 deg, 30 min, 2.) CH₃OH, t-BuOH, a) 0 deg C, 15 min, b) RT, 15 min;

DOI:10.1021/ja00044a013

upstream raw materials:

[⁽²⁾H₆]acetone

Downstream raw materials:

bis-(2,2,2-trideuterio-1-trideuteriomethyl-ethylidene)-hydrazine