Cinnamyl formate

Base Information

• Chemical Name: Cinnamyl formate
• CAS No.: 104-65-4
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Hs Code.: 2915120000
• European Community (EC) Number: 203-223-3
• NSC Number: 21737
• UNII: 896AGS89RD
• DSSTox Substance ID: DTXSID401265889
• Nikkaji Number: J141.582D,J35.356F
• Wikidata: Q27270010
• Mol file: 104-65-4.mol

Synonyms:cinnamyl formate

Chemical Property of Cinnamyl formate

Chemical Property:

• Vapor Pressure: 0.0198mmHg at 25°C
• Refractive Index: n20/D 1.553(lit.)
• Boiling Point: 252 °C at 760 mmHg
• Flash Point: 127.7 °C
• PSA: 26.30000
• Density: 1.076 g/cm³
• LogP: 2.50870
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Water Solubility.: 725.1mg/L at 25℃
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Cinnamyl formate ^*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=CCOC=O
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/COC=O

Technology Process of Cinnamyl formate

There total 20 articles about Cinnamyl formate 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-Phenylpropenol (104-54-1) + formic acid ethyl ester (109-94-4) → cinnamyl formate (104-65-4)

Guidance literature:

With K5; for 0.5h; Heating;

DOI:10.1016/S0040-4020(01)00806-7

Reference yield: 93.0%

3-Phenylpropenol (104-54-1) + chloral (75-87-6) → cinnamyl formate (104-65-4)

Guidance literature:

With potassium carbonate; In acetone; at 25 ℃; for 4h;

DOI:10.1016/S0040-4020(02)00185-0

Reference yield: 90.0%

formic acid (64-18-6) + 3-Phenylpropenol (104-54-1) → cinnamyl formate (104-65-4)

Guidance literature:

With sulfuric acid; silica gel; In hexane; for 0.666667h; Heating;

DOI:10.1080/10426500307877

upstream raw materials:

cinnamyl acetate

sodium formate

cinnamyl chloride

trimethylsilyl cinnamyl ether

Downstream raw materials:

C₁₇H₁₆O

3-Phenylpropenol

2-Benzylpyridine

Refernces

• 1、 Yan, Xiaojing,Li, Chang,Xu, Xiaofei,Zhao, Xiaoyong,Pan, Yuanjiang. "Hemin Catalyzed Dealkylative Intercepted [2, 3]-Sigmatropic Rearrangement Reactions of Sulfonium Ylides with 2, 2, 2-Trifluorodiazoethane". . p. 2005 - 2011. Retrieved 2020/05/18.
• 2、 Zhang, Bo,Du, Gaixia,Hang, Wei,Wang, Sheng,Xi, Chanjuan. "Lewis Base Promoted Reduction of CO2 with BH3NH3 into Boryl Formates: CO2 as a Carbon Source in Organic Synthesis Under Mild Conditions". supporting information. p. 1739 - 1743. Retrieved 2018/04/24.