Cas no 85806-02-6 (Benzeneacetic acid, α-(acetyloxy)-, 1-methylethyl ester, (S)- (9CI))

Benzeneacetic acid, α-(acetyloxy)-, 1-methylethyl ester, (S)- (9CI) structure
85806-02-6 structure
Product Name:Benzeneacetic acid, α-(acetyloxy)-, 1-methylethyl ester, (S)- (9CI)
CAS No:85806-02-6
MF:C13H16O4
MW:236.263744354248
CID:6622159
Update Time:2024-01-08

Benzeneacetic acid, α-(acetyloxy)-, 1-methylethyl ester, (S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, α-(acetyloxy)-, 1-methylethyl ester, (S)- (9CI)
    • Inchi: 1S/C13H16O4/c1-9(2)16-13(15)12(17-10(3)14)11-7-5-4-6-8-11/h4-9,12H,1-3H3/t12-/m0/s1
    • InChI Key: AJRBWQVDLNMIBB-LBPRGKRZSA-N
    • SMILES: C1([C@H](OC(C)=O)C(OC(C)C)=O)=CC=CC=C1

Experimental Properties

  • Density: 1.109±0.06 g/cm3(Predicted)
  • Boiling Point: 314.8±22.0 °C(Predicted)

Benzeneacetic acid, α-(acetyloxy)-, 1-methylethyl ester, (S)- (9CI) Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Scandium triflate ,  1799512-71-2 Solvents: Tetrahydrofuran ;  30 min, 35 °C; 35 °C → 0 °C
1.2 48 h, 0 °C
Reference
Kinetic Resolution of Racemic Mandelic Acid Esters by N,N'-Dioxide-Scandium-Complex-Catalyzed Enantiomer-Selective Acylation
Zhang, Yuheng; Liu, Xiaohua; Zhou, Lin; Wu, Wangbin; Huang, Tianyu; et al, Chemistry - A European Journal, 2014, 20(48), 15884-15890

Benzeneacetic acid, α-(acetyloxy)-, 1-methylethyl ester, (S)- (9CI) Raw materials

Benzeneacetic acid, α-(acetyloxy)-, 1-methylethyl ester, (S)- (9CI) Preparation Products

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