ChemicalBook--->CAS DataBase List--->10349-38-9

10349-38-9

10349-38-9 Structure

10349-38-9 Structure
IdentificationBack Directory
[Name]

4-METHOXYPHENYL ISOCYANIDE
[CAS]

10349-38-9
[Synonyms]

HANSA ISN-0053
4-Isocyanoanisole
Anisyl isonitrile
p-Anisyl isocyanide
p-Anisyl isonitrile
p-Anisoleisonitrile
P-ANISOYL ISONITRILE
p-Methoxyphenyl isocyanide
4-METHOXYPHENYL ISOCYANIDE
1-ISOCYANO-4-METHOXYBENZENE
4-Methoxyphenyl isocyanide 97%
benzene, 1-isocyano-4-methoxy-
Benzene, 1-isocyano-4-methoxy- (9CI)
[Molecular Formula]

C8H7NO
[MDL Number]

MFCD02664592
[MOL File]

10349-38-9.mol
[Molecular Weight]

133.15
Chemical PropertiesBack Directory
[Melting point ]

29-33 °C(lit.)
[Boiling point ]

113 °C
[Fp ]

224 °F
[storage temp. ]

?20°C
[InChI]

1S/C8H7NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,2H3
[InChIKey]

MIEQKTRWKZYUPY-UHFFFAOYSA-N
[SMILES]

COc1ccc(cc1)[N+]#[C-]
Questions And Answer(Q&A)Back Directory
[Preparation]

To an ice-cooled flask containing a solution of 10.5 gm (0.065 mole) of p-methoxyformanilide in 37.1 gm (0.47 mole) of pyridine and 13.0 ml (0.16 mole) of chloroform is added dropwise at 0°C 6.12 gm (0.040 mole) of phosphorus oxychloride. The solution is stirred for 1½ hr at room temperature and then added to 55 ml of ice-water. The water layer is extracted with two 10-ml portions of chloroform; the combined chloroform layer is dried and distilled under reduced pressure, to afford 3.5 gm (40%), b.p. 767C (1.0 mm Hg), IR 2137 c m " 1 (R—NC).
Preparation of p-Methoxyphenyl Isonitrile
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H311-H315-H319-H331-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P361-P403+P233-P405-P501
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-36/37/39
[RIDADR ]

UN 3335
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2929900090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

4-Methoxyphenyl isocyanide can be used to synthesize N-(isoquinolin-1-yl)-formamides via reaction with 2-alkynylbenzaldoximes in the presence of silver trifluoromethanesulfonate and bismuth triflate.
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 38, p. 2955, 1995 DOI: 10.1021/jm00015a018
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