3,4-Dimethoxyhydrocinnamic acid

The Benzenepropanoic acid,3,4-dimethoxy-, with the CAS registry number 2107-70-2, is also known as 3-(3,4-Dimethoxyphenyl)propionic acid. It belongs to the product categories of Aromatic Propionic Acids; Cinnamic Acid; Organic Acids; Aromatics. Its EINECS registry number is 218-288-3. This chemical's molecular formula is C₁₁H₁₄O₄ and molecular weight is 210.23. What's more, both its IUPAC name and systematic name are the same which is called 3-(3,4-Dimethoxyphenyl)propanoic acid. It should be stored in a cool, dry and well-ventilated place. It can be used as medical intermediate.

Physical properties about Benzenepropanoic acid,3,4-dimethoxy- are: (1)ACD/LogP: 0.558; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.30; (4)ACD/LogD (pH 7.4): -2.10; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 6.69; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 58.59 Å²; (13)Flash Point: 132.022 °C; (14)Enthalpy of Vaporization: 62.068 kJ/mol; (15)Boiling Point: 344.181 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Benzenepropanoic acid,3,4-dimethoxy-: this chemical can be prepared by 3-(3,4-dimethoxy-phenyl)-acrylic acid. This reaction needs reagent H₂ and solvent ethanol at temperature of 100 °C. 

Uses of Benzenepropanoic acid,3,4-dimethoxy-: it is used to produce other chemicals. For example, it can react with thiazolidine-2-thione to get 3-(3,4-dimethoxy-phenyl)-1-(2-thioxo-thiazolidin-3-yl)-propan-1-one. The reaction occurs with reagent DMAP-DCC and solvent acetonitrile. The reaction time is 12 hours. The yield is 25 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should avoid contacting with skin and eyes. The gas can not be breathed.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]C(=O)CCc1cc(OC)c(OC)cc1
(2) InChI: InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)/p-1
(3) InChIKey: LHHKQWQTBCTDQM-UHFFFAOYSA-M