1-Ethynyl-3,5-dimethoxybenzene

Basic Information

View in Editor

CAS Number

171290-52-1

Molecular Formula

C10H10O2

Molecular Weight

162.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

44.0 to 48.0 deg-C

Boiling Point

264.1±30.0 ºC (760 Torr),

Flash Point

107.3±24.1 ºC,

Refractive Index

1.522

SMILES

View in Editor

COC1=CC(=CC(=C1)C#C)OC

InChI

InChI=1S/C10H10O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h1,5-7H,2-3H3

InChIKey

HUSBBWQIJMRKLI-UHFFFAOYSA-N

LogP

1.68510

Complexity

168

Safety Information

View Safety Information

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

AM84602
Benzene, 1-ethynyl-3,5-dimethoxy-
AB92248
3.5-dimethoxyphenylacetylene
DTXSID70405341
FT-0652046
AS-18157
3,5-dimethoxyethynylbenzene
BCP10916
Benzene,1-ethynyl-3,5-dimethoxy-
1-ETHYNYL-3,5-DIMETHOXYBENZENE;3,5-Dimethoxyphenylacetylene
3,5-Dimethoxyphenyl acetylene
EN300-1867071
HUSBBWQIJMRKLI-UHFFFAOYSA-N
1-Ethynyl-3,5-(dimethoxy)benzene
171290-52-1
1-Ethynyl-3,5-dimethoxybenzene
1-ethynyl 3,5-dimethoxybenzene
E1175
1-Ethynyl-3,5-dimethoxybenzene, 98% (CP)
Q-102454
1-ETHYNYL-3 5-DIMETHOXYBENZENE 98
CS-W005480
1-ethynyl-3,5-dimethoxy-benzene
3,5-Dimethoxyphenylacetylene
AKOS005067753
SCHEMBL711441
SY050709
MFCD03839985
1-Ethylnyl-3,5-dimethoxybenzene
Benzene, 1-ethynyl-3,5-diMethoxy-

MDL Number

MFCD03839985

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 1-Ethynyl-3,5-dimethoxybenzene (CAS: 171290-52-1)?

1-Ethynyl-3,5-dimethoxybenzene is a crystalline solid with a molecular weight of approximately 224.25 g/mol. It has a low solubility in water (approximately 0.025 g/100 mL at 25°C) but is soluble in organic solvents like methanol and ethanol. The compound is relatively stable under normal conditions but can react with strong oxidizing agents. It can be synthesized by various methods and is used in the synthesis of other chemical compounds.

How is 1-Ethynyl-3,5-dimethoxybenzene (CAS: 171290-52-1) typically synthesized?

1-Ethynyl-3,5-dimethoxybenzene can be synthesized by the alkylation of 1,3,5-trimethoxybenzene with acetylene using a catalyst such as cuprates or zinc chloride. The reaction is typically carried out in anhydrous conditions to avoid side reactions. The product can be isolated by recrystallization and has a yield of around 85%. Other methods include the direct reaction of methoxybenzene with acetylene or the use of other transition metal catalysts.

What industries use 1-Ethynyl-3,5-dimethoxybenzene (CAS: 171290-52-1)?

1-Ethynyl-3,5-dimethoxybenzene is used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also used in the polymer industry for the production of certain types of plastics and in the semiconductor industry for the fabrication of electronic components. Additionally, it has applications in the production of sensors and other specialized chemical products.

What precautions should be taken when handling 1-Ethynyl-3,5-dimethoxybenzene (CAS: 171290-52-1)?

Proper handling of 1-Ethynyl-3,5-dimethoxybenzene requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate disposal methods. Care should be taken to avoid contact with skin and eyes. Always consult the Safety Data Sheet (SDS) for detailed handling and storage information.