1-o-Tolylprop-2-en-1-ol

Base Information

• Chemical Name: 1-o-Tolylprop-2-en-1-ol
• CAS No.: 39627-62-8
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• DSSTox Substance ID: DTXSID301300472
• Nikkaji Number: J1.726.554G
• Mol file: 39627-62-8.mol

Synonyms:1-o-Tolylprop-2-en-1-ol;1-(2-methylphenyl)prop-2-en-1-ol;39627-62-8;SCHEMBL9875235;1-(o-tolyl)prop-2-en-1-ol;DTXSID301300472;alpha-Vinyl-2-methylbenzenemethanol;alpha-Ethenyl-2-methylbenzenemethanol;AKOS014752184;1-(2-Methylphenyl)-2-propen-1-ol #;CS-0267122;EN300-1249023

Chemical Property of 1-o-Tolylprop-2-en-1-ol

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(C=C)O

Technology Process of 1-o-Tolylprop-2-en-1-ol

There total 10 articles about 1-o-Tolylprop-2-en-1-ol 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: 98.0%

vinyl magnesium bromide (1826-67-1) + 2-methylphenyl aldehyde (529-20-4) → 1-(o-tolyl)-2-propen-1-ol (39627-62-8)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 15h;

DOI:10.1002/anie.202101477

Reference yield: 66.0%

ethyl 2-methylbenzoate (87-24-1) + vinyl magnesium bromide (1826-67-1) → 1-(o-tolyl)-2-propen-1-ol (39627-62-8)

Guidance literature:

ethyl 2-methylbenzoate; With lithium diisobutyl-tert-butoxyaluminum hydride; In tetrahydrofuran; hexane; at 0 ℃;

vinyl magnesium bromide; In tetrahydrofuran; diethyl ether; hexane; at 20 ℃;

With hydrogenchloride; water; In tetrahydrofuran; diethyl ether; hexane;

DOI:10.1016/j.tetlet.2011.02.005

Reference yield:

benzyl allyl ether (14593-43-2) → 1,2-Dihydronaphthalene (447-53-0) + 1-Phenyl-3-buten-1-ol (80735-94-0,936-58-3) + 1-(o-tolyl)-2-propen-1-ol (39627-62-8)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; -78 deg C, 15 min, allowed to warm to 20 deg C, 2 h at 20 deg C;

DOI:10.1039/P29880000497

upstream raw materials:

ortho-tolylmagnesium bromide

acrolein

benzyl allyl ether

vinyl magnesium bromide

Downstream raw materials:

1-o-tolylallyl acetate

3-hydroxy-5,5-dimethyl-2-(1-0-tolylallyl)cyclohex-2-enone

(S)-1′-methyl-2′-(pent-1-en-3-yl)benzene

1-(2-methylphenyl)-3-phenyl-1-propanone