(S)-4-(tert-Butoxy)-2-(tert-butyl)-4-oxobutanoic acid

Base Information

Chemical Name:(S)-4-(tert-Butoxy)-2-(tert-butyl)-4-oxobutanoic acid
CAS No.:210048-06-9
Molecular Formula:C12H22O4
Molecular Weight:230.304
Hs Code.:
DSSTox Substance ID:DTXSID701187006
Mol file:210048-06-9.mol

Synonyms:210048-06-9;(S)-2-(2-tert-butoxy-2-oxoethyl)-3,3-dimethylbutanoic acid;(S)-4-(tert-Butoxy)-2-(tert-butyl)-4-oxobutanoic acid;(2S)-3,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanoic acid;MFCD09910073;SCHEMBL8274820;DTXSID701187006;(S)-4-(tert-Butoxy)-2-(tert-butyl)-4-oxobutanoicacid;(S)-2-(2-t-Butoxy-2-oxoethyl)-3,3-dimethylbutanoic acid;(2S)-2-[2-(tert-butoxy)-2-oxoethyl]-3,3-dimethylbutanoic acid;4-(1,1-Dimethylethyl) (2S)-2-(1,1-dimethylethyl)butanedioate

Suppliers and Price of (S)-4-(tert-Butoxy)-2-(tert-butyl)-4-oxobutanoic acid

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

Crysdot
(S)-4-(tert-Butoxy)-2-(tert-butyl)-4-oxobutanoicacid 97%
1g
$ 1498.00

American Custom Chemicals Corporation
(2S)-4-(1,1-DIMETHYLETHYL)(1,1-DIMETHYLETHYL)BUTANEDIOIC ACID ESTER 95.00%
5MG
$ 504.36

Total 1 raw suppliers

Chemical Property of (S)-4-(tert-Butoxy)-2-(tert-butyl)-4-oxobutanoic acid

Chemical Property:

PSA：63.60000
LogP:2.46510
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:230.15180918
Heavy Atom Count:16
Complexity:268

Purity/Quality:: (S)-4-(tert-Butoxy)-2-(tert-butyl)-4-oxobutanoicacid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of (S)-4-(tert-Butoxy)-2-(tert-butyl)-4-oxobutanoic acid

There total 4 articles about (S)-4-(tert-Butoxy)-2-(tert-butyl)-4-oxobutanoic acid 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: 100.0%

: 245323-43-7
S-ethyl (S)-4-(tert-butoxy)-2-(1,1-dimethylethyl)-4-oxobutanthioate

: 210048-06-9
(S)-4-(tert-butoxy)-2-(1,1-dimethylethyl)-4-oxobutanoic acid

Guidance literature:: With lithium hydroxide; dihydrogen peroxide; In tetrahydrofuran; water; at 20 ℃; for 72h;
DOI:10.1021/jo990756k

Reference yield:

: 5292-43-3
bromoacetic acid tert-butyl ester

: 210048-06-9
(S)-4-(tert-butoxy)-2-(1,1-dimethylethyl)-4-oxobutanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / NaN(SiMe₃)2 / tetrahydrofuran / 15 h / -78 °C

2: 85 percent / n-BuLi / hexane; tetrahydrofuran / -78 - 0 °C

3: 100 percent / H₂O₂; LiOH*H₂O / tetrahydrofuran; H₂O / 72 h / 20 °C

With lithium hydroxide; n-butyllithium; dihydrogen peroxide; sodium hexamethyldisilazane; In tetrahydrofuran; hexane; water; 1: Alkylation / 2: Hydrolysis / 3: Hydrolysis;
DOI:10.1021/jo990756k

Reference yield:

: 104266-91-3
(S)-4-benzyl-3-(3,3-dimethylbutanoyl)oxazolidin-2-one

: 210048-06-9
(S)-4-(tert-butoxy)-2-(1,1-dimethylethyl)-4-oxobutanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / NaN(SiMe₃)2 / tetrahydrofuran / 15 h / -78 °C

2: 85 percent / n-BuLi / hexane; tetrahydrofuran / -78 - 0 °C

3: 100 percent / H₂O₂; LiOH*H₂O / tetrahydrofuran; H₂O / 72 h / 20 °C

With lithium hydroxide; n-butyllithium; dihydrogen peroxide; sodium hexamethyldisilazane; In tetrahydrofuran; hexane; water; 1: Alkylation / 2: Hydrolysis / 3: Hydrolysis;
DOI:10.1021/jo990756k