Cas no 1372766-27-2 (Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βS)-)

Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βS)- structure
1372766-27-2 structure
Product Name:Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βS)-
CAS No:1372766-27-2
MF:C16H20O10
MW:372.324006080627
CID:5735539
Update Time:2023-11-06

Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βS)- Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βS)-
    • Inchi: 1S/C16H20O10/c17-8-2-1-7(3-10(8)19)9(18)4-13(22)26-14-11(20)5-16(25,15(23)24)6-12(14)21/h1-3,9,11-12,14,17-21,25H,4-6H2,(H,23,24)/t9-,11+,12+,14-,16+/m0/s1
    • InChI Key: OBENYYAACYFHGX-SBFWABLESA-N
    • SMILES: C1([C@@H](O)CC(O[C@H]2[C@H](O)C[C@@](C(O)=O)(O)C[C@H]2O)=O)=CC=C(O)C(O)=C1

Experimental Properties

  • Density: 1.69±0.1 g/cm3(Predicted)
  • Boiling Point: 743.6±60.0 °C(Predicted)
  • pka: 4.07±0.50(Predicted)

Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βS)- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Water Solvents: Water ;  10 min, 100 °C
Reference
Investigating the Chemical Changes of Chlorogenic Acids during Coffee Brewing: Conjugate Addition of Water to the Olefinic Moiety of Chlorogenic Acids and Their Quinides
Matei, Marius Febi; Jaiswal, Rakesh; Kuhnert, Nikolai, Journal of Agricultural and Food Chemistry, 2012, 60(49), 12105-12115

Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βS)- Raw materials

Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βS)- Preparation Products

Recommended suppliers
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.