(S)-2-Amino-4-(tert-butoxy)-2-methyl-4-oxobutanoic acid

Base Information

Chemical Name:(S)-2-Amino-4-(tert-butoxy)-2-methyl-4-oxobutanoic acid
CAS No.:1217977-71-3
Molecular Formula:C₉H₁₇NO₄
Molecular Weight:203.238
Hs Code.:
European Community (EC) Number:691-379-7
Mol file:1217977-71-3.mol

Synonyms:1217977-71-3;(S)-2-Amino-4-(tert-butoxy)-2-methyl-4-oxobutanoic acid;(S)-Alpha-Methylaspartic Acid-4-Tert-Butyl Ester;(2S)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;VIQZVYPYYUPDQY-VIFPVBQESA-N;AKOS026674185;AS-47113;(R)-a-methylaspartic acid-4-tert-butyl ester;F12121;(S)-2-Amino-4-(tert-butoxy)-2-methyl-4-oxobutanoicacid;S-1217977-71-3

Suppliers and Price of (S)-2-Amino-4-(tert-butoxy)-2-methyl-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)-2-Amino-4-(tert-butoxy)-2-methyl-4-oxobutanoicacid 95+%
1g
$ 475.00

ChemPep
α-Me-Asp(OtBu)-OH
1g
$ 460.00

Chemenu
(S)-2-Amino-4-(tert-butoxy)-2-methyl-4-oxobutanoicacid 95%
1g
$ 444.00

Total 8 raw suppliers

Chemical Property of (S)-2-Amino-4-(tert-butoxy)-2-methyl-4-oxobutanoic acid

Chemical Property:

PSA：89.62000
LogP:1.22050
XLogP3:-2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:203.11575802
Heavy Atom Count:14
Complexity:244

Purity/Quality:

97% ^*data from raw suppliers

(S)-2-Amino-4-(tert-butoxy)-2-methyl-4-oxobutanoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (S)-2-Amino-4-(tert-butoxy)-2-methyl-4-oxobutanoic acid

There total 2 articles about (S)-2-Amino-4-(tert-butoxy)-2-methyl-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:

: 135923-97-6
O⁴-(tert-Butyl) Hydrogen (R)-N²-<(Benzyloxy)carbonyl>-2-methylaspartate

: 147108-45-0,1231709-25-3,1217977-71-3
O⁴-(tert-butyl) hydrogen (R)-2-methylaspartate

Guidance literature:: With hydrogen; palladium; In methanol; water; for 4h; Yield given;
DOI:10.1002/hlca.19920750420

Reference yield:

: 135923-94-3
O⁴-(tert-Butyl) Hydrogen (S)-N²-<(Benzyloxy)carbonyl>-2-methylaspartate

: 147108-45-0,1231709-25-3,1217977-71-3
O⁴-(tert-butyl) hydrogen (S)-2-methylaspartate

Guidance literature:: With hydrogen; palladium; In methanol; water; for 4h; Yield given;
DOI:10.1002/hlca.19920750420

Reference yield:

: 147108-45-0,1231709-25-3,1217977-71-3
O⁴-(tert-butyl) hydrogen (S)-2-methylaspartate

: C₃₂H₃₅N₇O₇

Guidance literature:: Multi-step reaction with 6 steps

1.1: sodium carbonate / 1,4-dioxane; water / 0.17 h / 20 °C

1.2: 12 h / 20 °C

2.1: 4-methyl-morpholine / dichloromethane / 1 h / 0 °C

3.1: sodium tetrahydroborate / dichloromethane / 18 h / 0 - 20 °C

4.1: pyrrolidine / acetonitrile / 24 h / 20 °C

5.1: N,N-dimethyl-formamide / 52 h / 20 - 80 °C

6.1: Dess-Martin periodane / dichloromethane / 0 - 20 °C

With pyrrolidine; 4-methyl-morpholine; sodium tetrahydroborate; sodium carbonate; Dess-Martin periodane; In 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/j.tet.2018.07.029