Cyclohexene, 4-isocyanato-

Base Information

• Chemical Name: Cyclohexene, 4-isocyanato-
• CAS No.: 4103-88-2
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Mol file: 4103-88-2.mol

Synonyms:1-CYCLOHEXENYL ISOCYANATE;cyclohex-3-en-isocyanate;3-cyclohexene-1-isocyanate;

Chemical Property of Cyclohexene, 4-isocyanato-

Chemical Property:

• Boiling Point: 61-63 °C(Press: 18 Torr)
• PSA: 29.43000
• Density: 1.03±0.1 g/cm3(Predicted)
• LogP: 1.43090

Purity/Quality:

95% ^*data from raw suppliers

4-isocyanatocyclohex-1-ene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Cyclohexene, 4-isocyanato-

There total 4 articles about Cyclohexene, 4-isocyanato- 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: 78.5%

1,2,5,6-tetrahydrobenzoic acid (4771-80-6) → 1-isocyano-3-cyclohexene (4103-88-2)

Guidance literature:

With sodium azide; chloroformic acid ethyl ester; triethylamine;

DOI:10.1016/S0040-4039(00)99862-9

Reference yield:

cyclohex-3-enylmethanol (72581-32-9,1679-51-2) → 1-isocyano-3-cyclohexene (4103-88-2)

Guidance literature:

Multi-step reaction with 2 steps

1: chromium(VI) oxide; sulfuric acid / acetone / 0 °C / Inert atmosphere

2: diphenyl phosphoryl azide; triethylamine / toluene / 95 °C / Inert atmosphere

With chromium(VI) oxide; sulfuric acid; diphenyl phosphoryl azide; triethylamine; In acetone; toluene; 2: |Curtius Rearrangement;

DOI:10.1002/anie.201304186

Reference yield:

3-Cyclohexencarbonylazid (53102-81-1) → 1-isocyano-3-cyclohexene (4103-88-2)

Guidance literature:

In toluene; for 1h; Heating;

DOI:10.1039/b303081d

upstream raw materials:

1,2,5,6-tetrahydrobenzoic acid

3-Cyclohexencarbonylazid

cyclohex-3-enylmethanol

Downstream raw materials:

C₂₄H₃₀N₄O₄S

C₂₄H₃₀N₄O₄S

benzyl N-(cyclohex-3-en-1-yl)carbamate

cyclohex-3-en-1-ylamine hydrochloride