Cinnamic acid, alpha-methyl-

Base Information

• Chemical Name: Cinnamic acid, alpha-methyl-
• CAS No.: 1199-77-5
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Hs Code.: 29163900
• NSC Number: 401113
• Nikkaji Number: J8.535I
• Mol file: 1199-77-5.mol

Synonyms:Cinnamic acid, alpha-methyl-;(Z)-2-methyl-3-phenylprop-2-enoic acid;NSC-401113;2-Propenoic acid, 2-methyl-3-phenyl-;alpha-Methylallocinnamic acid;15250-29-0;SCHEMBL581982;NSC401113;J-004225;tert-Butyl?4-(1,3-dioxoisoindolin-2-yl)piperidine-1-carboxylate

Chemical Property of Cinnamic acid, alpha-methyl-

Chemical Property:

• Appearance/Colour: white crystal
• Vapor Pressure: 0.00109mmHg at 25°C
• Melting Point: 79-81 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 288.3 °C at 760 mmHg
• PKA: 4.82±0.10(Predicted)
• Flash Point: 194.3 °C
• PSA: 37.30000
• Density: 1.147 g/cm³
• LogP: 2.17450
• Storage Temp.: Store below +30°C.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

α-Methylcinnamic acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=CC1=CC=CC=C1)C(=O)O
• Isomeric SMILES: C/C(=C/C1=CC=CC=C1)/C(=O)O
• Uses: Alpha-methylcinnamic acid

Technology Process of Cinnamic acid, alpha-methyl-

There total 41 articles about Cinnamic acid, alpha-methyl- 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: 98.0%

C17H16O2 (87995-30-0) + toluene (108-88-3,15644-74-3,16713-13-6) → 1-methyl-3-(phenylmethyl)-benzene (620-47-3) + 1-methyl-4-(phenylmethyl)benzene (620-83-7) + 2-benzyltoluene (713-36-0) + α-methylcinnamic acid (1199-77-5)

Guidance literature:

With boron trifluoride diethyl etherate; water; at 80 ℃; for 2h; regioselective reaction;

DOI:10.1039/c4ra04059g

Reference yield: 95.0%

methyl 2-methyl-3-phenylacrylate (21370-57-0,22946-43-6,25692-59-5) → α-methylcinnamic acid (1199-77-5)

Guidance literature:

With methanol; potassium hydroxide; at 20 ℃; for 0.5h;

Reference yield: 87.0%

2-methyl-3-phenyl-2-propenal (101-39-3) → α-methylcinnamic acid (1199-77-5)

Guidance literature:

With dihydrogen peroxide; In water; acetonitrile; at 45 ℃; for 12h; chemoselective reaction;

DOI:10.1080/10426501003671437

upstream raw materials:

pyridine

benzaldehyde

propionic acid

benzylidene dichloride

Downstream raw materials:

methyl 2-methyl-3-phenylacrylate

4-methyl-5-phenyl-1,2-dithiole-3-thione

(2-nitroprop-1-enyl)benzene

2-methyl-1-phenyl-1-propene, β,β-dimethylstyrene

Refernces

• 1、 Wang, Meng-Meng,Lu, Sheng-Mei,Paridala, Kumaraswamy,Li, Can. "Water-initiated hydrocarboxylation of terminal alkynes with CO2and hydrosilane". supporting information. p. 1230 - 1233. Retrieved 2021/02/09.
• 2、 Atobe, Mahito,Fukazawa, Atsushi,Hashimoto, Yasushi,Sato, Yasushi,Tanaka, Kenta. "Electrocatalytic asymmetric hydrogenation of α,β-unsaturated acids in a PEM reactor with cinchona-modified palladium catalysts". . . Retrieved 2020/04/28.