3-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid

Base Information

• Chemical Name: 3-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid
• CAS No.: 856417-59-9
• Molecular Formula: C₁₂H₂₃NO₄
• Molecular Weight: 245.319
• Hs Code.: 29225090
• European Community (EC) Number: 959-813-2
• DSSTox Substance ID: DTXSID40589243
• Mol file: 856417-59-9.mol

Synonyms:856417-59-9;3-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid;3-N-Boc-Amino-4,4-dimethyl pentanoic acid;3-{[(tert-butoxy)carbonyl]aMino}-4,4-diMethylpentanoic acid;4,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;3-[(tert-butoxycarbonyl)amino]-4,4-dimethylpentanoic acid;3-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoicacid;MFCD31629196;3-N-BOC-AMINO-4,4-DIMETHYLPENTANOICACID;SCHEMBL3012505;DTXSID40589243;GJOMHEYOQWPVEZ-UHFFFAOYSA-N;MFCD09264200;4,4-Dimethyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentanoic acid;AKOS015998641;TS-7147;SY254087;3-N-Boc-Amino-4,4-Dimethylpentanoic Acid;CS-0171675;EN300-120621;(R,S)-Boc-3-amino-3-(tert-butyl)propionic acid;A848414;3-(tert-butoxycarbonylamino)-4,4-dimethylpentanoic acid;Z1258932168

Chemical Property of 3-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid

Chemical Property:

• PSA: 75.63000
• LogP: 2.79140
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 245.16270821
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

97% ^*data from raw suppliers

3-N-Boc-amino-4,4-dimethylPentanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(CC(=O)O)NC(=O)OC(C)(C)C

Technology Process of 3-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid

There total 1 articles about 3-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic 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: 85.0%

di-tert-butyl dicarbonate (24424-99-5) + racemic 3-amino-4,4-dimethyl-pentanoic acid (204191-43-5) → 3-((tert-butoxycarbonyl)amino)-4,4-dimethylpentanoic acid (856417-59-9,2171245-83-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; water; at 20 ℃; for 15h;

upstream raw materials:

di-tert-butyl dicarbonate

racemic 3-amino-4,4-dimethyl-pentanoic acid