3-[(1R)-1-methoxy-1-phenylethyl]-5-methyl-1H-pyrazole

Base Information

Chemical Name:3-[(1R)-1-methoxy-1-phenylethyl]-5-methyl-1H-pyrazole
CAS No.:832688-52-5
Molecular Formula:C13H16N2O
Molecular Weight:216.283
Hs Code.:
DSSTox Substance ID:DTXSID60479571
Nikkaji Number:J2.136.465G
Wikidata:Q82313682

Synonyms:CTK3D3523;832688-52-5;DTXSID60479571

Suppliers and Price of 3-[(1R)-1-methoxy-1-phenylethyl]-5-methyl-1H-pyrazole

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 3-[(1R)-1-methoxy-1-phenylethyl]-5-methyl-1H-pyrazole

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:216.126263138
Heavy Atom Count:16
Complexity:228

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=NN1)C(C)(C2=CC=CC=C2)OC
Isomeric SMILES:CC1=CC(=NN1)[C@@](C)(C2=CC=CC=C2)OC

Technology Process of 3-[(1R)-1-methoxy-1-phenylethyl]-5-methyl-1H-pyrazole

There total 6 articles about 3-[(1R)-1-methoxy-1-phenylethyl]-5-methyl-1H-pyrazole 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: 60.0%

: 832688-51-4
(R)-5-methoxy-5-phenylhexane-2,4-dione

: 832688-52-5
(R)-3⁽⁵⁾-(1-methoxy-1-phenyl-ethyl)-5⁽³⁾-methyl-1H-pyrazole

Guidance literature:: With hydrazine hydrate; In ethanol; for 0.5h; Heating;
DOI:10.1016/j.tet.2004.10.092

Reference yield:

: 4358-87-6
(RS)-methyl mandelate

: 832688-52-5
(R)-3⁽⁵⁾-(1-methoxy-1-phenyl-ethyl)-5⁽³⁾-methyl-1H-pyrazole

Guidance literature:: Multi-step reaction with 7 steps

1.1: K₂CO₃; Adogen / toluene / 20 - 90 °C

2.1: LDA / tetrahydrofuran / -60 - 0 °C

2.2: tetrahydrofuran / 18 h / -60 - 20 °C

3.1: aq. NaOH / ethanol

3.2: 28.7 g / aq. HCl

4.1: Brucine / acetone

4.2: aq. HCl

5.1: 84 percent / DOWEX X₅₀-H(+) / methanol / 10 h / Heating

6.1: sodium hydride / diethyl ether / 1.5 h / 25 °C

6.2: 78 percent Chromat_. / diethyl ether / 1.58 h

7.1: 60 percent / hydrazine monohydrate / ethanol / 0.5 h / Heating

With sodium hydroxide; DOWEX X₅₀-H(+); triisooctyl amine; sodium hydride; potassium carbonate; hydrazine hydrate; brucine; lithium diisopropyl amide; In tetrahydrofuran; methanol; diethyl ether; ethanol; acetone; toluene;
DOI:10.1016/j.tet.2004.10.092

Reference yield:

: 3558-61-0
methyl 2-methoxy-2-phenylacetate

: 832688-52-5
(R)-3⁽⁵⁾-(1-methoxy-1-phenyl-ethyl)-5⁽³⁾-methyl-1H-pyrazole

Guidance literature:: Multi-step reaction with 6 steps

1.1: LDA / tetrahydrofuran / -60 - 0 °C

1.2: tetrahydrofuran / 18 h / -60 - 20 °C

2.1: aq. NaOH / ethanol

2.2: 28.7 g / aq. HCl

3.1: Brucine / acetone

3.2: aq. HCl

4.1: 84 percent / DOWEX X₅₀-H(+) / methanol / 10 h / Heating

5.1: sodium hydride / diethyl ether / 1.5 h / 25 °C

5.2: 78 percent Chromat_. / diethyl ether / 1.58 h

6.1: 60 percent / hydrazine monohydrate / ethanol / 0.5 h / Heating

With sodium hydroxide; DOWEX X₅₀-H(+); sodium hydride; hydrazine hydrate; brucine; lithium diisopropyl amide; In tetrahydrofuran; methanol; diethyl ether; ethanol; acetone;
DOI:10.1016/j.tet.2004.10.092