(2S)-Methyl 2-(4-hydroxyphenoxy)-2-methylbutanoate

Base Information

Chemical Name:(2S)-Methyl 2-(4-hydroxyphenoxy)-2-methylbutanoate
CAS No.:653563-79-2
Molecular Formula:C₁₂H₁₆O₄
Molecular Weight:224.257
Hs Code.:
DSSTox Substance ID:DTXSID80475515
Wikidata:Q82306098

Synonyms:653563-79-2;(2S)-Methyl 2-(4-hydroxyphenoxy)-2-methylbutanoate;SCHEMBL5365832;DTXSID80475515;PYYSJAFWJCIFQU-LBPRGKRZSA-N

Suppliers and Price of (2S)-Methyl 2-(4-hydroxyphenoxy)-2-methylbutanoate

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 1 raw suppliers

Chemical Property of (2S)-Methyl 2-(4-hydroxyphenoxy)-2-methylbutanoate

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:224.10485899
Heavy Atom Count:16
Complexity:233

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)(C(=O)OC)OC1=CC=C(C=C1)O
Isomeric SMILES:CC[C@@](C)(C(=O)OC)OC1=CC=C(C=C1)O

Technology Process of (2S)-Methyl 2-(4-hydroxyphenoxy)-2-methylbutanoate

There total 5 articles about (2S)-Methyl 2-(4-hydroxyphenoxy)-2-methylbutanoate 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:

: 653563-74-7
methyl 2-(4-(benzyloxy)phenoxy)butanoate

: 653563-79-2
S-(-)-methyl-2-[4-hydroxy phenoxy]-2-methyl butyrate

Guidance literature:: Multi-step reaction with 3 steps

1: LDA / tetrahydrofuran / -78 °C

2: H₂ / Pd/C

3: chiral resolution using Chiracel OJ column

With hydrogen; lithium diisopropyl amide; palladium on activated charcoal; In tetrahydrofuran;
DOI:10.1016/j.bmcl.2005.12.022

Reference yield:

: 3196-15-4,69043-96-5
Methyl 2-bromobutyrate

: 653563-79-2
S-(-)-methyl-2-[4-hydroxy phenoxy]-2-methyl butyrate

Guidance literature:: Multi-step reaction with 4 steps

1: Cs₂CO₃ / acetonitrile

2: LDA / tetrahydrofuran / -78 °C

3: H₂ / Pd/C

4: chiral resolution using Chiracel OJ column

With hydrogen; caesium carbonate; lithium diisopropyl amide; palladium on activated charcoal; In tetrahydrofuran; acetonitrile;
DOI:10.1016/j.bmcl.2005.12.022

Reference yield:

: 103-16-2
4-Benzyloxyphenol

: 653563-79-2
S-(-)-methyl-2-[4-hydroxy phenoxy]-2-methyl butyrate

Guidance literature:: Multi-step reaction with 4 steps

1: Cs₂CO₃ / acetonitrile

2: LDA / tetrahydrofuran / -78 °C

3: H₂ / Pd/C

4: chiral resolution using Chiracel OJ column

With hydrogen; caesium carbonate; lithium diisopropyl amide; palladium on activated charcoal; In tetrahydrofuran; acetonitrile;
DOI:10.1016/j.bmcl.2005.12.022