trans-Anol

Base Information

• Chemical Name: trans-Anol
• CAS No.: 20649-39-2
• Molecular Formula: C9H10O
• Molecular Weight: 134.178
• European Community (EC) Number: 843-931-5
• UNII: 20748P37VF
• DSSTox Substance ID: DTXSID50174684
• Nikkaji Number: J6.380K,J329.840J
• Wikipedia: Anol
• Wikidata: Q27140446
• Metabolomics Workbench ID: 66376
• ChEMBL ID: CHEMBL163297
• Mol file: 20649-39-2.mol

Synonyms:trans-anol;isochavicol;t-anol;trans-Isochavicol;4-Propenylphenol, (E)-;trans-4-Propenylphenol;20649-39-2;(E)-4-(1-Propenyl)phenol;Phenol, p-propenyl-, (E)-;4-[(E)-prop-1-enyl]phenol;Phenol, 4-(1E)-1-propenyl-;FEMA No. 4062, E-;E-anol;4-hydroxy-1-propenylbenzene;4-Propenyl-phenol;Phenol, 4-(1-propenyl)-, (E)-;UNII-20748P37VF;(E)-4-Propenylphenol;4-[(1E)-prop-1-en-1-yl]phenol;20748P37VF;CHEMBL163297;CHEBI:73343;(E)-1-(4-hydroxyphenyl)propene;4-prop-1-enylphenol;panol;trans-p-Anol;539-12-8;(E)-4-Hydroxypropenylbenzene;4-[(E)-1-Propenyl]phenol;SCHEMBL555296;DTXSID50174684;UMFCIIBZHQXRCJ-NSCUHMNNSA-N;BDBM50017832;C20464;EN300-7441166;Q27140446

Chemical Property of trans-Anol

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.073164938
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC1=CC=C(C=C1)O
• Isomeric SMILES: C/C=C/C1=CC=C(C=C1)O

Technology Process of trans-Anol

There total 20 articles about trans-Anol 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: 91.0%

4-Propenyl-phenol (539-12-8) → (E)-1-(4-hydroxyphenyl)propene (20649-39-2)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1002/adsc.201701278

Reference yield: 83.0%

ethyltriphenylphosphonium bromide (1530-32-1) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → (E)-1-(4-hydroxyphenyl)propene (20649-39-2)

Guidance literature:

ethyltriphenylphosphonium bromide; With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 0.166667h;

4-hydroxy-benzaldehyde; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1016/j.tet.2012.11.006

Reference yield: 82.0%

ethyltriphenylphosphonium iodide (4736-60-1) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → (E)-1-(4-hydroxyphenyl)propene (20649-39-2)

Guidance literature:

With n-butyllithium; In tetrahydrofuran;

DOI:10.1246/bcsj.20140241

upstream raw materials:

trans-foeniculin

ethylmagnesium iodide

4-hydroxy-benzaldehyde

E-1-(4'-methoxyphenyl)prop-1-ene

Downstream raw materials:

trans-foeniculin

desmethyl anethole trithione

(1S*,2S*,3R*)-6-hydroxy-1-(4-hydroxyphenyl)-2,5,7-trimethyl-3-(2-phenylethyl)-2,3-dihydroindene

(1R*,2S*,3R*)-6-hydroxy-1-(4-hydroxyphenyl)-2,5,7-trimethyl-3-(2-phenylethyl)-2,3-dihydroindene