(R)-alpha-Methylaspartic acid-4-(tert-butyl) ester

Base Information

• Chemical Name: (R)-alpha-Methylaspartic acid-4-(tert-butyl) ester
• CAS No.: 1231709-25-3
• Molecular Formula: C₉H₁₇NO₄
• Molecular Weight: 203.238
• DSSTox Substance ID: DTXSID401225273
• Mol file: 1231709-25-3.mol

Synonyms:1231709-25-3;(R)-alpha-Methylaspartic acid-4-(tert-butyl) ester;(2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(R)-alpha-Methylaspartic acid-4-tert-butyl ester;(R)-alpha-Methylaspartic acid-4-tert-butyl ester, 98% ee;D-Aspartic acid, 2-methyl-, 4-(1,1-dimethylethyl) ester;DTXSID401225273;AKOS030212926;AT19322;4-(1,1-Dimethylethyl) hydrogen 2-methyl-D-aspartate;D-Asparticacid,2-methyl-,4-(1,1-dimethylethyl)ester

Chemical Property of (R)-alpha-Methylaspartic acid-4-(tert-butyl) ester

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

(R)-α-Methylaspartic acid-4-tert-butyl ester, 98% ^*data from reagent suppliers

Safty Information:

• Statements: 45-46-11-65
• Safety Statements: 53-23-24-45

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 (R)-alpha-Methylaspartic acid-4-(tert-butyl) ester

There total 2 articles about (R)-alpha-Methylaspartic acid-4-(tert-butyl) ester 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:

O4-(tert-Butyl) Hydrogen (R)-N2-<(Benzyloxy)carbonyl>-2-methylaspartate (135923-97-6) → O4-(tert-butyl) hydrogen (R)-2-methylaspartate (147108-45-0,1231709-25-3,1217977-71-3)

Guidance literature:

With hydrogen; palladium; In methanol; water; for 4h; Yield given;

DOI:10.1002/hlca.19920750420

Reference yield:

O4-(tert-Butyl) Hydrogen (S)-N2-<(Benzyloxy)carbonyl>-2-methylaspartate (135923-94-3) → O4-(tert-butyl) hydrogen (S)-2-methylaspartate (147108-45-0,1231709-25-3,1217977-71-3)

Guidance literature:

With hydrogen; palladium; In methanol; water; for 4h; Yield given;

DOI:10.1002/hlca.19920750420

Reference yield: 85.0%

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide (82911-69-1) + O4-(tert-butyl) hydrogen (S)-2-methylaspartate (147108-45-0,1231709-25-3,1217977-71-3) → (S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-succinic acid 4-tert-butyl ester (1072845-47-6)

Guidance literature:

O⁴-(tert-butyl) hydrogen (S)-2-methylaspartate; With sodium carbonate; In 1,4-dioxane; water; at 20 ℃; for 0.166667h;

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide; In 1,4-dioxane; water; at 20 ℃; for 12h;

DOI:10.1016/j.tet.2018.07.029

upstream raw materials:

O⁴-(tert-Butyl) Hydrogen (R)-N²-<(Benzyloxy)carbonyl>-2-methylaspartate

O⁴-(tert-Butyl) Hydrogen (S)-N²-<(Benzyloxy)carbonyl>-2-methylaspartate

Downstream raw materials:

(S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-succinic acid 4-tert-butyl ester