2-Cyano-3,3-diphenylacrylic acid

Base Information

• Chemical Name: 2-Cyano-3,3-diphenylacrylic acid
• CAS No.: 10380-41-3
• Molecular Formula: C16H11NO2
• Molecular Weight: 249.269
• Hs Code.: 2926909090
• UNII: OJ7EUJ2L2U
• DSSTox Substance ID: DTXSID80431611
• Nikkaji Number: J81.500D
• Mol file: 10380-41-3.mol

Synonyms:2-cyano-3,3-diphenylacrylic acid;10380-41-3;2-Cyano-3,3-diphenylpropenoic acid;2-cyano-3,3-diphenylprop-2-enoic acid;OJ7EUJ2L2U;2-Propenoic acid, 2-cyano-3,3-diphenyl-;3,3-diphenyl-2-cyanoacrylic acid;2-cyano-3,3-diphenyl-2-propenoic acid;UNII-OJ7EUJ2L2U;SCHEMBL269364;2-cyano-3,3-diphenylacrylicacid;DTXSID80431611;VSXIZXFGQGKZQG-UHFFFAOYSA-N;2-cyano-3,3-diphenyl acrylic acid;2-cyano-3,3-diphenyl-acrylic acid;alpha-Cyano-beta-diphenylacrylic acid;beta,beta-diphenyl-alpha-cyanoacrylic acid;E70320;.ALPHA.-CYANO-.BETA.-DIPHENYLACRYLIC ACID;A902190

Chemical Property of 2-Cyano-3,3-diphenylacrylic acid

Chemical Property:

• PSA: 61.09000
• LogP: 3.09668
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.078978594
• Heavy Atom Count: 19
• Complexity: 384

Purity/Quality:

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

2-Cyano-3,3-diphenylacrylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=C(C#N)C(=O)O)C2=CC=CC=C2
• Uses: 2-Cyano-3,3-diphenylacrylic Acid was used to study skin-permeable selective cyclooxygenaswe-2 inhibitor composition, and to study hydrophilic components of cosmetic compositions, such as in sunscreen.

Technology Process of 2-Cyano-3,3-diphenylacrylic acid

There total 15 articles about 2-Cyano-3,3-diphenylacrylic 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: 96.0%

methyl α-cyano-β,β-diphenyl acrylate (14442-37-6) → 2-cyano-3,3-diphenylacrylic acid (10380-41-3)

Guidance literature:

With water; sodium hydroxide; In methanol; for 4h; Reflux;

Reference yield: 92.0%

etocrylene (5232-99-5) → 2-cyano-3,3-diphenylacrylic acid (10380-41-3)

Guidance literature:

etocrylene; With water; sodium hydroxide; In methanol; at 20 ℃;

With hydrogenchloride; In methanol; water;

Reference yield: 87.0%

octocrylene (6197-30-4,80135-31-5) → 2-cyano-3,3-diphenylacrylic acid (10380-41-3)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 5 - 20 ℃; for 18h;

upstream raw materials:

etocrylene

methyl α-cyano-β,β-diphenyl acrylate

2-bromo-2-cyano-3,3-diphenyl-propionic acid ethyl ester

Benzophenone imine

Downstream raw materials:

2-oxo-4-phenyl-2H-chromene-3-carbonitrile

retinyl O-(2-cyano-3,3-diphenyl-acryloyl)glycolate

1-oxo-3-phenyl-1H-indene-2-carbonitrile

3,3-diphenylacrylonitrile

Refernces

• 1、 -. "ADHESIVE PHOTOPROTECTIVE COMPOUNDS AND USES THEREOF". Page/Page column 58. . Retrieved 2021/06/26.
• 2、 Bury, Daniel,Belov, Vladimir N.,Qi, Yulin,Hayen, Heiko,Volmer, Dietrich A.,Brüning, Thomas,Koch, Holger M.. "Determination of Urinary Metabolites of the Emerging UV Filter Octocrylene by Online-SPE-LC-MS/MS". . p. 944 - 951. Retrieved 2017/12/26.