Sodium cinnamate

Base Information

• Chemical Name: Sodium cinnamate
• CAS No.: 538-42-1
• Molecular Formula: C9H7NaO2
• Molecular Weight: 170.143
• Hs Code.: 2916399090
• European Community (EC) Number: 208-691-2
• UNII: 1DKD3Z3E4Y
• DSSTox Substance ID: DTXSID5060223
• Nikkaji Number: J76.349G,J78.722A
• Wikidata: Q27252291
• Mol file: 538-42-1.mol

Synonyms:(E)-cinnamic acid, 2-(14)C-labeled cpd;cinnamic acid;cinnamic acid, (trans)-(E)-isomer;cinnamic acid, (Z)-isomer;cinnamic acid, 1-(13)C-labeled cpd;cinnamic acid, 1-14C-labeled cpd;cinnamic acid, 13C-labeled cpd;cinnamic acid, 14C-labeled cpd;cinnamic acid, 14C-labeled cpd (E)-isomer;cinnamic acid, 2-(13)C-labeled cpd;cinnamic acid, 2-(14)C-labeled cpd;cinnamic acid, 3-(14)C-labeled cpd;cinnamic acid, 3H-labeled cpd (E)-isomer;cinnamic acid, 3H-labeled cpd (Z)-isomer;cinnamic acid, ion(1-);cinnamic acid, ion(1-)-(E)-isomer;cinnamic acid, nickel (+2) salt;cinnamic acid, potassium salt;cinnamic acid, radical ion(1-);cinnamic acid, sodium salt;cinnamic acid, sodium salt(E)-isomer;cinnamic acid, sodium salt(Z)-isomer;cinnamic acid, zinc salt(E)-isomer;cis-cinnamic acid;E-cinnamic acid;E-Z cinnamic acid;sodium cinnamate;trans-cinnamic acid;tritium labeled (E)-cinnamic acid;tritium labeled (Z)-cinnamic acid

Chemical Property of Sodium cinnamate

Chemical Property:

• Vapor Pressure: 0.00471mmHg at 25°C
• Boiling Point: 265oC at 760mmHg
• Flash Point: 189.5oC
• PSA: 40.13000
• LogP: 0.44970
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.03437374
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98% ^*data from raw suppliers

SodiumCinnamate ^*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=CC(=O)[O-].[Na+]
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C(=O)[O-].[Na+]

Technology Process of Sodium cinnamate

There total 2 articles about Sodium cinnamate 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: 33.0%

Cinnamic acid (621-82-9) → sodium cinnamate (538-42-1)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 2h;

DOI:10.1021/acs.orglett.5b02382

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + carbon dioxide (124-38-9,18923-20-1) → sodium cinnamate (538-42-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium t-butanolate; 1,2-bis-(dicyclohexylphosphino)ethane; at 145 ℃; for 20h; under 37503.8 Torr; Catalytic behavior; Glovebox; Autoclave;

DOI:10.1002/cctc.201601150

Reference yield: 82.0%

copper(II) perchlorate hexahydrate + o-{(3-morpholinopropylimino)methyl}phenol (55349-85-4) + sodium cinnamate (538-42-1) → Cu(o-{(3-morpholinopropylimino)methyl}phenol)(3-phenylacrylate)

Guidance literature:

copper(II) perchlorate hexahydrate; o-{(3-morpholinopropylimino)methyl}phenol; With triethylamine; In methanol; for 2h;

sodium cinnamate; In methanol; at 25 ℃; for 1h;

DOI:10.1039/c6ra05570b

upstream raw materials:

Cinnamic acid

styrene

carbon dioxide

Downstream raw materials:

2-bromo-3-hydroxy-3-phenyl-propanoic acid

2-bromo-3-chloro-3-phenyl-propionic acid

3-phenylpropanoic acid methyl ester

methyl p-toluene sulfinate