CID 85636

Base Information

• Chemical Name: CID 85636
• CAS No.: 6972-61-8
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• DSSTox Substance ID: DTXSID501311291
• Wikidata: Q105348873,Q105348874
• Mol file: 6972-61-8.mol

Synonyms:DTXSID501311291;AKOS017278327;SY027320;FT-0610139

Chemical Property of CID 85636

Chemical Property:

• Appearance/Colour: off white powder
• Melting Point: 192-194°C
• Boiling Point: 384.4 °C at 760 mmHg
• Flash Point: 151.8 °C
• PSA: 55.76000
• Density: 1.203 g/cm³
• LogP: 1.80160
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4-Dimethoxycinnamic Acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C=CC(=O)O)OC

Technology Process of CID 85636

There total 5 articles about CID 85636 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

(E)-3-(2,4-Dimethoxy-phenyl)-acrylic acid methyl ester → 2,4-dimethoxycinnamic acid (6972-61-8)

Guidance literature:

(E)-3-(2,4-Dimethoxy-phenyl)-acrylic acid methyl ester; With lithium hydroxide; In water; diethylene glycol; at 90 ℃; for 0.25h; Sonication; Microwave irradiation;

With hydrogenchloride; In water; diethylene glycol;

DOI:10.1080/00397910902738112

Reference yield:

malonic acid (141-82-2) + 2,4-Dimethoxybenzaldehyde (613-45-6) → 2,4-dimethoxycinnamic acid (6972-61-8)

Guidance literature:

With ammonia; Es entstehen α-Form und β-Form;

Reference yield:

triacetoxyborane (4887-24-5) + 2,4-Dimethoxybenzaldehyde (613-45-6) → 2,4-dimethoxycinnamic acid (6972-61-8)

Guidance literature:

triacetoxyborane; With pyridine; dmap; In 1-methyl-pyrrolidin-2-one; at 20 - 30 ℃; Reflux;

2,4-Dimethoxybenzaldehyde; In 1-methyl-pyrrolidin-2-one; at 180 - 190 ℃;

DOI:10.1021/jm2004046

upstream raw materials:

malonic acid

2,4-Dimethoxybenzaldehyde

triacetoxyborane

Downstream raw materials:

3-(2,4-dimethoxyphenyl) propionic acid

2,4-Dimethoxybenzaldehyde

3-(2,4-Dimethoxy-phenyl)-3-hydroxyamino-propionic acid

2,4 dimethoxybenzoic acid