(E)-2-(Trifluoromethyl)vinyl benzyl ether

Base Information

• Chemical Name: (E)-2-(Trifluoromethyl)vinyl benzyl ether
• CAS No.: 932395-40-9
• Molecular Formula: C10H9F3O
• Molecular Weight: 202.176
• Hs Code.: 2909199090
• European Community (EC) Number: 641-289-9
• Nikkaji Number: J2.888.973I
• Mol file: 932395-40-9.mol

Synonyms:(E)-2-(Trifluoromethyl)vinyl benzyl ether;932395-40-9;[(E)-3,3,3-trifluoroprop-1-enoxy]methylbenzene;(E)-(((3,3,3-trifluoroprop-1-en-1-yl)oxy)methyl)benzene;1802225-63-3;VQPAEZXUOGRKIL-VOTSOKGWSA-N;MFCD13193051;AKOS037655479;AT11581;PS-11400;CS-0458689

Chemical Property of (E)-2-(Trifluoromethyl)vinyl benzyl ether

Chemical Property:

• Boiling Point: 242.9±40.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.177±0.06 g/cm3(Predicted)
• LogP: 3.27920
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 202.06054939
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

(E)-3,3,3-Trifluoro-1-propenylbenzylether ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC=CC(F)(F)F
• Isomeric SMILES: C1=CC=C(C=C1)CO/C=C/C(F)(F)F

Technology Process of (E)-2-(Trifluoromethyl)vinyl benzyl ether

There total 5 articles about (E)-2-(Trifluoromethyl)vinyl benzyl ether 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: 29.0%

benzyl alcohol (100-51-6,185532-71-2) + trans-1-chloro-3,3,3-trifluoropropene (102687-65-0) → ({[(1E)-3,3,3-trifluoroprop-1-en-1-yl]oxy}methyl)benzene (932395-40-9)

Guidance literature:

With water; potassium hydroxide; at -20 - 70 ℃; for 13h;

Reference yield: 20.0%

2-chloro-1,1,1-trifluoropropene (2730-62-3) + benzyl alcohol (100-51-6,185532-71-2) → (Z)-(((3,3,3-trifluoroprop-1-en-1-yl)oxy)methyl)benzene (932395-39-6) + ({[(1E)-3,3,3-trifluoroprop-1-en-1-yl]oxy}methyl)benzene (932395-40-9)

Guidance literature:

benzyl alcohol; With potassium hydroxide; In isopropyl alcohol; at 20 ℃; for 0.166667h;

2-chloro-1,1,1-trifluoropropene; In isopropyl alcohol; at 50 ℃; for 4h; stereoselective reaction;

DOI:10.1021/acs.orglett.0c00931

Reference yield:

benzyl alcohol (100-51-6,185532-71-2) + trans-1-chloro-3,3,3-trifluoropropene (102687-65-0) → (Z)-(((3,3,3-trifluoroprop-1-en-1-yl)oxy)methyl)benzene (932395-39-6) + ({[(1E)-3,3,3-trifluoroprop-1-en-1-yl]oxy}methyl)benzene (932395-40-9)

Guidance literature:

With potassium hydroxide; In water; N,N-dimethyl-formamide; at 80 - 90 ℃; for 8h; Overall yield = 50 percent;

DOI:10.1016/j.jfluchem.2020.109456

upstream raw materials:

benzyl alcohol

trans-1-chloro-3,3,3-trifluoropropene

(Z)-1-chloro-3,3,3-trifluoro-1-propene

2-chloro-1,1,1-trifluoropropene

Downstream raw materials:

3,3,3-trifluoropropanal

benzyl alcohol

dibenzyl ether

Refernces

• 1、 Filatov, Andrey A.,Kremlev, Mikhail M.,Mushta, Oleksii ?.,Yagupolskii, Yurii L.. "Reaction of substituted phenols and alcohols with (E)-1-chloro-3,3,3-trifluoropropene (HFCO-1233zd)". . . Retrieved 2020/02/11.
• 2、 -. "METHOD FOR PRODUCING 3,3,3-TRIFLUOROPROPANOL". Paragraph 0035-0036. . Retrieved 2018/01/09.