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4-(Ethoxymethyl)benzoic acid

4-(Ethoxymethyl)benzoic acid structure

4-(Ethoxymethyl)benzoic acid 

structure
  • CAS No:

    146781-28-4

  • Formula:

    C10H12O3

  • Chemical Name:

    4-(Ethoxymethyl)benzoic acid

  • Synonyms:

    Benzoic acid,4-(ethoxymethyl)-;4-(Ethoxymethyl)benzoic acid;NSC 210358;4-Ethoxymethylbenzoic acid

4-(Ethoxymethyl)benzoic acid Basic Attributes

180.21

180.20

210358

DTXSID80308894

2918990090

Characteristics

46.5

1.8

1.143±0.06 g/cm3(Predicted)

296.3±23.0 °C(Predicted)

115.1±16.1 °C

1.535

Safety Information

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

4-(Ethoxymethyl)benzoic acid Use and Manufacturing

General procedure: In a Schlenk tube under 1 atm of argon, a solution of the substrate (2 mmol, 1 equiv), the precatalyst (0.04 mmol, 0.02 equiv), and the silane (3 mmol, 1.5 equiv) in methylene chloride (15 mL) was irradiated for 4h. After removal of the solvent, methanol (5 mL) and aqueous NaOH solution (2.5 M, 5 mL) were added and the resulting suspension was stirred overnight. Neutralization with aqueous HCl solution (2 M, 30 mL) and brine (20 mL) followed by standard workup gave the desired products as pure yellow oils.General procedure: In a Schlenk tube under 1 atm of argon, a solution of the substrate (2 mmol, 1 equiv), the precatalyst (0.04 mmol, 0.02 equiv), and the silane (3 mmol, 1.5 equiv) in methylene chloride (15 mL) was irradiated for 4h. After removal of the solvent, methanol (5 mL) and aqueous NaOH solution (2.5 M, 5 mL) were added and the resulting suspension was stirred overnight. Neutralization with aqueous HCl solution (2 M, 30 mL) and brine (20 mL) followed by standard workup gave the desired products as pure yellow oils.

Computed Properties

Molecular Weight:180.20
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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