Benzenepropanol, alpha-ethenyl-beta-methyl-, 1-acetate, (alphaR,betaR)-

Base Information

Chemical Name:Benzenepropanol, alpha-ethenyl-beta-methyl-, 1-acetate, (alphaR,betaR)-
CAS No.:644981-59-9
Molecular Formula:C₁₄H₁₈O₂
Molecular Weight:218.296
Hs Code.:
DSSTox Substance ID:DTXSID701197752
Nikkaji Number:J1.981.953A

Synonyms:DTXSID701197752;644981-59-9;Benzenepropanol, alpha-ethenyl-beta-methyl-, 1-acetate, (alphaR,betaR)-

Suppliers and Price of Benzenepropanol, alpha-ethenyl-beta-methyl-, 1-acetate, (alphaR,betaR)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of Benzenepropanol, alpha-ethenyl-beta-methyl-, 1-acetate, (alphaR,betaR)-

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:218.130679813
Heavy Atom Count:16
Complexity:229

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CC1=CC=CC=C1)C(C=C)OC(=O)C
Isomeric SMILES:C[C@H](CC1=CC=CC=C1)[C@@H](C=C)OC(=O)C

Technology Process of Benzenepropanol, alpha-ethenyl-beta-methyl-, 1-acetate, (alphaR,betaR)-

There total 8 articles about Benzenepropanol, alpha-ethenyl-beta-methyl-, 1-acetate, (alphaR,betaR)- 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: 96.0%

: 108-24-7
acetic anhydride

: 925453-63-0
(3R,4R)-4-methyl-5-phenyl-1-penten-3-ol

: 644981-59-9
(3R,4R)-4-methyl-5-phenyl-1-penten-3-yl acetate

Guidance literature:: With pyridine; dmap; In dichloromethane; at 20 ℃; for 1h;
DOI:10.1002/chem.200601212

Reference yield:

: 219607-74-6
(2S,3R)-1,2-epoxy-3-methyl-4-phenylbutane

: 644981-59-9
(3R,4R)-4-methyl-5-phenyl-1-penten-3-yl acetate

Guidance literature:: Multi-step reaction with 2 steps

1.1: BuLi / hexane; tetrahydrofuran / 0.5 h / -20 °C

1.2: 87 percent / tetrahydrofuran; hexane / -20 - 20 °C

2.1: 96 percent / 4-(dimethylamino)pyridine; pyridine / CH₂Cl₂ / 1 h / 20 °C

With pyridine; dmap; n-butyllithium; In tetrahydrofuran; hexane; dichloromethane;
DOI:10.1002/chem.200601212

Reference yield:

: 164118-40-5
(2S,3R)-2-<(4-Methoxyphenyl)methoxy>-3-methyl-4-phenylbutanal

: 644981-59-9
(3R,4R)-4-methyl-5-phenyl-1-penten-3-yl acetate

Guidance literature:: Multi-step reaction with 3 steps

1: tetrahydrofuran / 0 °C

2: 2,3-dichloro-5,6-dicyano-1,4-benzoquinone / CH₂Cl₂; H₂O

3: pyridine; 4-(dimethylamino)pyridine / CH₂Cl₂

With pyridine; dmap; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; dichloromethane; water;
DOI:10.1002/anie.200352629