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768-60-5

768-60-5 Structure

768-60-5 Structure
IdentificationMore
[Name]

4-Ethynylanisole
[CAS]

768-60-5
[Synonyms]

1-ETH-1-YNYL-4-METHOXYBENZENE
1-ETHYNYL-4-METHOXYBENZENE
4-ETHYNYLANISOLE
4'-METHOXYPHENYL ACETYLENE
4-METHOXYPHENYLACETYLENE
P-ETHYNYLANISOLE
Benzene, 1-ethynyl-4-methoxy-
Benzene, 1-ethynyl-4-methoxy-(9CI)
4-Ethynylmethoxybenzene
4-METHOXY PHENYL ACETYLENE,98%
1-ETHYNYL-4-METHOXYBENZENE/4-METHOXYPHENYLACETYLENE
(4-Methoxyphenyl)ethyne
1-(4-Methoxyphenyl)ethyne
4-Methoxyphenylethyne
p-Methoxyphenylacetylene
[Molecular Formula]

C9H8O
[MDL Number]

MFCD00168815
[Molecular Weight]

132.16
[MOL File]

768-60-5.mol
Chemical PropertiesBack Directory
[Appearance]

Pale Yellow Oil
[Melting point ]

28-29 °C (lit.)
[Boiling point ]

87-91 °C/11 mmHg (lit.)
[density ]

1.019 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.563(lit.)
[Fp ]

180 °F
[storage temp. ]

Store Cold
[solubility ]

Acetontrile (Slightly), Chloroform (Slightly)
[form ]

Liquid or Low Melting Solid
[color ]

Clear colorless to deep yellow or brown
[Water Solubility ]

Insoluble in water. Soluble in chloroform, acetone, dichloromethane, and methanol.
[Sensitive ]

Light Sensitive
[Usage]

Intermediate in the synthesis of histamine H3-receptor antagonists. Also utilized to prepare its luminescent copper complex
[Stability:]

Light and Temperature Sensitive
[InChI]

1S/C9H8O/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7H,2H3
[InChIKey]

KBIAVTUACPKPFJ-UHFFFAOYSA-N
[SMILES]

COc1ccc(cc1)C#C
[CAS DataBase Reference]

768-60-5(CAS DataBase Reference)
[NIST Chemistry Reference]

4-CH3O-C6H4-CCH(768-60-5)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn,F
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 1325 4.1/PG 2
[WGK Germany ]

3
[PackingGroup ]

II
[HS Code ]

29093090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Oil
[Uses]

1,3-dipolar cycloaddition of acceptor-cyclopropylmethylsilanes affords functionalized cyclopentenes in good yields.1
[Uses]

Intermediate in the synthesis of histamine H3-receptor antagonists. Also utilized to prepare its luminescent copper complex
[Uses]

Intermediates of Liquid Crystals
[Definition]

ChEBI: 1-Eth-1-ynyl-4-methoxybenzene is a member of methoxybenzenes.
[Synthesis Reference(s)]

Organic Syntheses, Coll. Vol. 9, p. 230, 1998
Synthesis, p. 305, 1978
Tetrahedron, 62, p. 6673, 2006 DOI: 10.1016/j.tet.2005.12.077
[General Description]

4-Ethynylanisole forms the corresponding propargyl aldehyde in good yield directly from DMF-dimethyl acetal without the need for making an acetylide salt. 1,3-dipolar cycloaddition of acceptor-cyclopropylmethylsilanes affords functionalized cyclopentenes in good yields.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Ethynylanisole(768-60-5)1HNMR
4-Ethynylanisole(768-60-5)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Ethynylanisole, 97%(768-60-5)
[Alfa Aesar]

4-Methoxyphenylacetylene, 99%(768-60-5)
[Sigma Aldrich]

768-60-5(sigmaaldrich)
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