4-(Dimethylamino)cinnamic acid

Base Information

• Chemical Name: 4-(Dimethylamino)cinnamic acid
• CAS No.: 1552-96-1
• Molecular Formula: C11H13NO2
• Molecular Weight: 191.23
• Hs Code.: 29224985
• European Community (EC) Number: 216-299-8
• NSC Number: 638140,13673
• Nikkaji Number: J681.282A,J206.778A
• Wikidata: Q76139842
• ChEMBL ID: CHEMBL1771755
• Mol file: 1552-96-1.mol

Synonyms:4-(dimethylamino)cinnamic acid

Chemical Property of 4-(Dimethylamino)cinnamic acid

Chemical Property:

• Appearance/Colour: Yellow to beige crystalline powder
• Vapor Pressure: 8.08E-06mmHg at 25°C
• Melting Point: 227-228 °C (dec.)(lit.)
• Refractive Index: 1.5220 (estimate)
• Boiling Point: 360.3 °C at 760 mmHg
• PKA: -95.54±0.10(Predicted)
• Flash Point: 171.7 °C
• PSA: 40.54000
• Density: 1.173 g/cm³
• LogP: 1.85040
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

99%, ^*data from raw suppliers

4-(Dimethylamino)cinnamic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C=CC(=O)O
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)/C=C/C(=O)O

Technology Process of 4-(Dimethylamino)cinnamic acid

There total 24 articles about 4-(Dimethylamino)cinnamic acid 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: 94.0%

3-(4'-dimethylaminophenyl)-(E)-propenoic acid methyl ester (63511-96-6) → p-dimethylaminocinnamic acid (1552-96-1,5676-65-3)

Guidance literature:

3-(4'-dimethylaminophenyl)-(E)-propenoic acid methyl ester; With lithium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 24h;

With hydrogenchloride; In tetrahydrofuran; methanol; water;

DOI:10.1016/j.bmc.2010.05.037

Reference yield: 91.0%

malonic acid (141-82-2) + 4-dimethylamino-benzaldehyde (100-10-7) → p-dimethylaminocinnamic acid (1552-96-1,5676-65-3)

Guidance literature:

With bismuth(III) chloride; for 0.133333h; Microwave irradiation; Neat (no solvent);

DOI:10.1080/00397910903162833

Reference yield: 85.0%

(E)-3-(4-(dimethylamino)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one (65786-13-2) → p-dimethylaminocinnamic acid (1552-96-1,5676-65-3)

Guidance literature:

With dihydrogen peroxide; potassium carbonate; In acetonitrile; at 20 ℃; for 5h;

DOI:10.5935/0103-5053.20130063

upstream raw materials:

piperidine

malonic acid

4-dimethylamino-benzaldehyde

quinoline

Downstream raw materials:

3-(4'-dimethylaminophenyl)-(E)-propenoic acid methyl ester

ethyl (E)-3-(4-(dimethylamino)phenyl)acrylate

4-(2t-carboxy-vinyl)-tri-N-methyl-anilinium; iodide

methyl 3-(p-dimethylaminophenyl)-2-propenoate

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