Cas no 88530-52-3 (Methyl 2-(4-tert-butylphenoxy)acetate)

Methyl 2-(4-tert-butylphenoxy)acetate structure
88530-52-3 structure
Product Name:Methyl 2-(4-tert-butylphenoxy)acetate
CAS No:88530-52-3
MF:C13H18O3
MW:222.280224323273
MDL:MFCD09909448
CID:733639
PubChem ID:101331
Update Time:2024-12-09

Methyl 2-(4-tert-butylphenoxy)acetate Chemical and Physical Properties

Names and Identifiers

    • Aceticacid, 2-[4-(1,1-dimethylethyl)phenoxy]-, methyl ester
    • methyl 2-(4-tert-butylphenoxy)acetate
    • Methyl 2-(4-(tert-butyl)phenoxy)acetate
    • 7W6BM568RG
    • NSC406678
    • OWLZIJMSCPKFJJ-UHFFFAOYSA-N
    • Methyl (p-tert-butylphenoxy)acetate
    • Methyl (4-tert-butylphenoxy)acetate #
    • AK629541
    • 2-[4-(1,1-Dimethylethyl)phenoxy]acetic acid methyl ester
    • Acetic acid, [4-(1,1-dimethylethyl)phenoxy]-, met
    • Acetic acid, (p-tert-butylphenoxy)-, methyl ester (5CI)
    • Acetic acid, [4-(1,1-dimethylethyl)phenoxy]-, methyl ester (9CI)
    • Methyl 2-[4-(1,1-dimethylethyl)phenoxy]acetate (ACI)
    • NSC 406678
    • SCHEMBL7848337
    • Methyl2-(4-(tert-butyl)phenoxy)acetate
    • C76933
    • DS-19839
    • 88530-52-3
    • MFCD09909448
    • UNII-7W6BM568RG
    • ACETIC ACID, (P-TERT-BUTYLPHENOXY)-, METHYL ESTER
    • CS-0161630
    • DTXSID60237113
    • Acetic acid, [4-(1,1-dimethylethyl)phenoxy]-, methyl ester
    • ACETIC ACID, 2-(4-(1,1-DIMETHYLETHYL)PHENOXY)-, METHYL ESTER
    • ACETIC ACID, (4-(1,1-DIMETHYLETHYL)PHENOXY)-, METHYL ESTER
    • NSC-406678
    • AKOS008906654
    • Methyl 2-(4-tert-butylphenoxy)acetate
    • MDL： MFCD09909448
    • Inchi： 1S/C13H18O3/c1-13(2,3)10-5-7-11(8-6-10)16-9-12(14)15-4/h5-8H,9H2,1-4H3
    • InChI Key： OWLZIJMSCPKFJJ-UHFFFAOYSA-N
    • SMILES： O=C(COC1C=CC(C(C)(C)C)=CC=1)OC

Computed Properties

  • Exact Mass: 222.125594
  • Monoisotopic Mass: 222.125594
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 222
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 35.5

Experimental Properties

  • Density: 1.026
  • Boiling Point: 294.4°Cat760mmHg
  • Flash Point: 119.2°C
  • Refractive Index: 1.487

Methyl 2-(4-tert-butylphenoxy)acetate Pricemore >>

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Methyl 2-(4-tert-butylphenoxy)acetate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  rt; 18 h, rt
Reference
New Approach to 1,4-Benzoxazin-3-ones by Electrochemical C-H Amination
Wesenberg, Lars Julian; Herold, Sebastian; Shimizu, Akihiro; Yoshida, Jun-ichi; Waldvogel, Siegfried R., Chemistry - A European Journal, 2017, 23(50), 12096-12099

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