Isocyanic acid, 3-phenyl-1,2,4-oxadiazol-5-yl ester (7CI)

Base Information

• Chemical Name: Isocyanic acid, 3-phenyl-1,2,4-oxadiazol-5-yl ester (7CI)
• CAS No.: 90484-03-0
• Molecular Formula: C₉H₅N₃O₂
• Molecular Weight: 187.158
• Mol file: 90484-03-0.mol

Synonyms:Isocyanicacid, 3-phenyl-1,2,4-oxadiazol-5-yl ester (7CI)

Chemical Property of Isocyanic acid, 3-phenyl-1,2,4-oxadiazol-5-yl ester (7CI)

Chemical Property:

• PSA: 68.35000
• LogP: 1.70390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Isocyanic acid, 3-phenyl-1,2,4-oxadiazol-5-yl ester (7CI)

There total 4 articles about Isocyanic acid, 3-phenyl-1,2,4-oxadiazol-5-yl ester (7CI) 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:

3-phenyl-[1,2,4]oxadiazole-5-carbonyl azide (90484-14-3) → 5-isocyanato-3-phenyl-[1,2,4]oxadiazole (90484-03-0)

Guidance literature:

In toluene; at 80 ℃;

Reference yield:

3-phenyl-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester (37760-54-6) → 5-isocyanato-3-phenyl-[1,2,4]oxadiazole (90484-03-0)

Guidance literature:

Multi-step reaction with 3 steps

1: N₂H₄*H₂O / methanol / 0 °C

2: NaNO₂, aq. HCl / acetic acid / 5 °C

3: toluene / 80 °C

With hydrogenchloride; hydrazine hydrate; sodium nitrite; In methanol; acetic acid; toluene;

Reference yield:

N-hydroxybenzenecarboximidamide (613-92-3) → 5-isocyanato-3-phenyl-[1,2,4]oxadiazole (90484-03-0)

Guidance literature:

Multi-step reaction with 4 steps

1: Py / CHCl₃ / 80 °C

2: N₂H₄*H₂O / methanol / 0 °C

3: NaNO₂, aq. HCl / acetic acid / 5 °C

4: toluene / 80 °C

With pyridine; hydrogenchloride; hydrazine hydrate; sodium nitrite; In methanol; chloroform; acetic acid; toluene;

upstream raw materials:

3-phenyl-[1,2,4]oxadiazole-5-carbonyl azide

3-phenyl-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester

N-hydroxybenzenecarboximidamide

3-phenyl-[1,2,4]oxadiazole-5-carboxylic acid hydrazide

Downstream raw materials:

(3-phenyl-[1,2,4]oxadiazol-5-yl)-carbamic acid ethyl ester

(3-phenyl-[1,2,4]oxadiazol-5-yl)-carbamic acid benzyl ester