1-Isocyano-2-phenoxybenzene

Base Information

• Chemical Name: 1-Isocyano-2-phenoxybenzene
• CAS No.: 602261-98-3
• Molecular Formula: C13H9NO
• Molecular Weight: 195.221
• DSSTox Substance ID: DTXSID70398123
• Wikidata: Q82199926
• Mol file: 602261-98-3.mol

Synonyms:1-isocyano-2-phenoxybenzene;602261-98-3;SCHEMBL11882763;DTXSID70398123;AKOS006276916;EN300-1863499

Chemical Property of 1-Isocyano-2-phenoxybenzene

Chemical Property:

• PSA: 9.23000
• LogP: 3.26040
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 195.068413911
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

98% ^*data from raw suppliers

1-ISOCYANO-2-PHENOXY-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: [C-]#[N+]C1=CC=CC=C1OC2=CC=CC=C2

Technology Process of 1-Isocyano-2-phenoxybenzene

There total 2 articles about 1-Isocyano-2-phenoxybenzene 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: 85.0%

N-(2-phenoxyphenyl)formamide (2770-12-9) → 1-isocyano-2-phenoxybenzene (602261-98-3)

Guidance literature:

With triethylamine; trichlorophosphate; In dichloromethane; at 0 - 20 ℃; for 24h;

DOI:10.1002/cmdc.201900472

Reference yield: 26.0%

N-(2-phenoxyphenyl)formamide (2770-12-9) → 1-isocyanato-2-phenoxy-benzene (59377-20-7) + 1-isocyano-2-phenoxybenzene (602261-98-3)

Guidance literature:

With triethylamine; trichloromethyl chloroformate; In dichloromethane; 0 deg C, 30 min then r.t.;

DOI:10.1016/0040-4020(95)00769-5

Reference yield: 8.0%

1-isocyano-2-phenoxybenzene (602261-98-3) → benzophenone (119-61-9) + 2-phenylbenzo[d]oxazole (833-50-1) + 11-phenyldibenz<1,4>oxazepine (2770-17-4) + N-(2-phenoxyphenyl)benzamide (2770-15-2)

Guidance literature:

With dibenzoyl peroxide; In ethyl acetate; at 80 ℃; for 65h;

DOI:10.1016/0040-4020(95)00769-5

upstream raw materials:

N-(2-phenoxyphenyl)formamide

Downstream raw materials:

benzophenone

2-phenylbenzo[d]oxazole

11-phenyldibenz<1,4>oxazepine

N-(2-phenoxyphenyl)benzamide

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