- Investigating the Chemical Changes of Chlorogenic Acids during Coffee Brewing: Conjugate Addition of Water to the Olefinic Moiety of Chlorogenic Acids and Their QuinidesMatei, Marius Febi; Jaiswal, Rakesh; Kuhnert, Nikolai, Journal of Agricultural and Food Chemistry, 2012, 60(49), 12105-12115
Cas no 1372766-27-2 (Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βS)-)
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
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- Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βS)-
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- 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
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
- Neochlorogenic acid (906-33-2)
- Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)- (15016-60-1)
- (E)-Chlorogenic Acid (202650-88-2)
- (-)-chlorogenic acid (32719-11-2)
- Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βS)- (1372766-27-2)
- 4-caffeoylquinic acid (87099-76-1)
- Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βR)- (1372557-77-1)
Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βS)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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