Cas no 960602-09-9 (1,3-Benzenediol, 4-chloro-, 3-propanoate)

1,3-Benzenediol, 4-chloro-, 3-propanoate structure
960602-09-9 structure
Product Name:1,3-Benzenediol, 4-chloro-, 3-propanoate
CAS No:960602-09-9
MF:C9H9ClO3
MW:200.618962049484
CID:5667270
Update Time:2024-02-02

1,3-Benzenediol, 4-chloro-, 3-propanoate Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenediol, 4-chloro-, 3-propanoate
    • Inchi: 1S/C9H9ClO3/c1-2-9(12)13-6-3-4-7(10)8(11)5-6/h3-5,11H,2H2,1H3
    • InChI Key: BOAIGROBDCKOFU-UHFFFAOYSA-N
    • SMILES: C1(OC(=O)CC)=CC=C(Cl)C(O)=C1

Experimental Properties

  • Density: 1.303±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 323.1±32.0 °C(Predicted)
  • pka: 8.53±0.18(Predicted)

1,3-Benzenediol, 4-chloro-, 3-propanoate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Isopropanol Catalysts: Triacylglycerol lipase Solvents: Diisopropyl ether ;  15 min, 45 °C
Reference
Secondary alcohols act as better nucleophiles than primary alcohols in the lipase-catalyzed regioselective deacylation of dihydroxybenzenes acylated at both phenolic hydroxyls
Miyazawa, Toshifumi; Hamada, Manabu; Morimoto, Ryohei; Murashima, Takashi; Yamada, Takashi, Tetrahedron Letters, 2007, 48(47), 8334-8337

1,3-Benzenediol, 4-chloro-, 3-propanoate Raw materials

1,3-Benzenediol, 4-chloro-, 3-propanoate Preparation Products

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