Vanitrope

Base Information

• Chemical Name: Vanitrope
• CAS No.: 63477-41-8
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• European Community (EC) Number: 202-370-0
• NSC Number: 5194
• UNII: JP95W81L3F
• DSSTox Substance ID: DTXSID7047726
• Nikkaji Number: J11.615G
• Wikidata: Q76304749
• NCI Thesaurus Code: C80940
• Metabolomics Workbench ID: 49168
• Mol file: 63477-41-8.mol

Synonyms:Vanitrope;94-86-0;Propenylguaethol;2-Ethoxy-5-(1-propenyl)phenol;Isosafroeugenol;Propenyl guaethol;2-Ethoxy-5-propenylphenol;trans-2-Ethoxy-5-(1-propenyl)phenol;6-Ethoxy-m-anol;Hydroxy methyl anethol;2-Ethoxy-5-prop-1-enylphenol;5-propenylguaethol;Hydroxymethyl anethole;63477-41-8;FEMA No. 2922;2-ethoxy-5-(prop-1-en-1-yl)phenol;Phenol, 2-ethoxy-5-propenyl-;2-ethoxy-5-[(E)-prop-1-enyl]phenol;1-Ethoxy-2-hydroxy-4-propenylbenzene;Propenylguaethol [FCC];2-ethoxy-5-[(1E)-prop-1-en-1-yl]phenol;Propenyl guaethol [II];NSC 5194;Propenylguaethol [FHFI];2-Ethoxy-5-propenyl-phenol;PHENOL, 2-ETHOXY-5-(1-PROPENYL)-;UNII-JP95W81L3F;JP95W81L3F;DTXSID7047726;NSC-5194;m-Anol, 6-ethoxy-;3-Propenyl-6-ethoxyphenol;EINECS 202-370-0;BRN 2259898;AI3-25000;DTXSID2047727;Propenylguaetol;Isosafroeugenole;iso safroeugenol;Propenylguaethole;m-Anol;NSC5194;Fenol, 2-etoxi-5-(1-propen-1-il)-;6-ethoxy-;VANIBON;2 - ethoxy - 5 - prop - 1 - enylphenol;4-06-00-06325 (Beilstein Handbook Reference);WLN: 2U1R CQ DO2;DTXCID1027716;DTXCID4032401;FEMA 2922;CHEBI:173836;RADIRXJQODWKGQ-HWKANZROSA-N;Tox21_302539;Tox21_303945;1-Ethoxy-2-hydroxy-4-propenybenzene;BBL018765;MFCD00009283;STL195347;AKOS015838841;2-Ethoxy-5-(1-propenyl)phenol, 9CI;AS-9932;CCG-357198;CS-W017326;LS-3062;(E)-2-ethoxy-5-(prop-1-enyl)phenol;2-Ethoxy-5-[(1E)-1-propenyl]phenol;CAS-94-86-0;Propenyl guaethol, >=99%, FCC, FG;2-ethoxy-5-[(E)-prop-1-enyl]-phenol;NCGC00256742-01;NCGC00357273-01;(E)-2-Ethoxy-5-(prop-1-en-1-yl)phenol;1-Ethoxy-2-hydroxy-4-(1-propenyl)benzene;CAS-63477-41-8;E0804;trans-2-Ethoxy-5-(1-propenyl)phenol, 97%;D77808;A845117;W-100180;InChI=1/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3

Chemical Property of Vanitrope

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)C=CC)O
• Isomeric SMILES: CCOC1=C(C=C(C=C1)/C=C/C)O

Technology Process of Vanitrope

There total 18 articles about Vanitrope 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:

ethyl isoeugenol (137138-52-4) → (E)-2-methoxy-4-(1-propenyl)phenol (5932-68-3) + trans-2-ethoxy-5-(1-propenyl)-phenol (63477-41-8)

Guidance literature:

With ethanol; sodium ethanolate; at 150 - 180 ℃;

Reference yield:

methanol (67-56-1) + ethyl isoeugenol (137138-52-4) + sodium methylate (124-41-4) → (E)-2-methoxy-4-(1-propenyl)phenol (5932-68-3) + trans-2-ethoxy-5-(1-propenyl)-phenol (63477-41-8)

Guidance literature:

at 150 - 180 ℃;

Reference yield:

ethanol (64-17-5) + ethyl isoeugenol (137138-52-4) + sodium ethanolate (141-52-6) → (E)-2-methoxy-4-(1-propenyl)phenol (5932-68-3) + trans-2-ethoxy-5-(1-propenyl)-phenol (63477-41-8)

Guidance literature:

at 150 - 180 ℃;

upstream raw materials:

pyridine

6-ethoxy-3-cis-propenyl-phenol

p-toluenesulfonyl chloride

methanol

Downstream raw materials:

4-ethoxy-3-hydroxybenzaldehyde

2-ethoxy-4-(prop-1-en-1-yl)phenol

1,2-diethoxy-4-trans-propenyl-benzene

4-ethoxy-3-acetoxy-1-trans-propenyl-benzene