3-Chloro-3-(propan-2-yl)-3H-diazirene

Base Information

• Chemical Name: 3-Chloro-3-(propan-2-yl)-3H-diazirene
• CAS No.: 29648-80-4
• Molecular Formula: C4H7ClN2
• Molecular Weight: 118.566
• DSSTox Substance ID: DTXSID10569653
• Nikkaji Number: J476.328I
• Mol file: 29648-80-4.mol

Synonyms:29648-80-4;3-Chloro-3-isopropyl-3H-diazirine;3-Chloro-3-(propan-2-yl)-3H-diazirene;3H-Diazirine, 3-chloro-3-(1-methylethyl)-;3-chloro-3-propan-2-yldiazirine;3-chloro-3-(propan-2-yl)-3H-diazirine;3-chloro-3-isopropyldiazirine;DTXSID10569653

Chemical Property of 3-Chloro-3-(propan-2-yl)-3H-diazirene

Chemical Property:

• Boiling Point: 96.4±50.0℃ (760 Torr)
• Flash Point: 12.1±30.1℃
• PSA: 24.72000
• Density: 1.31±0.1 g/cm3 (20 oC 760 Torr)
• LogP: 0.87200
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 118.0297759
• Heavy Atom Count: 7
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1(N=N1)Cl

Technology Process of 3-Chloro-3-(propan-2-yl)-3H-diazirene

There total 3 articles about 3-Chloro-3-(propan-2-yl)-3H-diazirene 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: 49.0%

C4H8Cl2N2 (79449-49-3) → 3-Chloro-2-isopropyldiazirine (29648-80-4)

Guidance literature:

With sodium hydroxide; sodium chloride; In dimethyl sulfoxide; at 0 ℃;

DOI:10.1021/jo00337a061

Reference yield: 40.0%

2-methylpropanimidamide hydrochloride (22007-68-7) + lithium acetate (546-89-4) → 3-Chloro-2-isopropyldiazirine (29648-80-4) + Acetic acid 3-isopropyl-3H-diazirin-3-yl ester (192888-11-2)

Guidance literature:

With sodium hypochlorite; sodium acetate; In water; dimethyl sulfoxide; pentane; at 30 - 35 ℃;

DOI:10.1016/S0040-4039(97)00936-2

Reference yield: 10.0%

2-methylpropanimidamide hydrochloride (22007-68-7) → 3-Chloro-2-isopropyldiazirine (29648-80-4) + Acetic acid 3-isopropyl-3H-diazirin-3-yl ester (192888-11-2)

Guidance literature:

With sodium hypochlorite; lithium acetate; sodium acetate; In water; dimethyl sulfoxide; pentane; at 30 - 35 ℃;

DOI:10.1016/S0040-4039(97)00936-2

upstream raw materials:

C₄H₈Cl₂N₂

2-methylpropanimidamide hydrochloride

lithium acetate

Downstream raw materials:

2-methylprop-1-enyl chloride