2-{[(Benzyloxy)carbonyl]amino}-2-ethylbutanoic acid

Base Information

• Chemical Name: 2-{[(Benzyloxy)carbonyl]amino}-2-ethylbutanoic acid
• CAS No.: 84310-95-2
• Molecular Formula: C14H19NO4
• Molecular Weight: 265.309
• DSSTox Substance ID: DTXSID60573245
• Wikidata: Q82461881
• Mol file: 84310-95-2.mol

Synonyms:84310-95-2;2-{[(Benzyloxy)carbonyl]amino}-2-ethylbutanoic acid;Butanoic acid, 2-ethyl-2-[[(phenylmethoxy)carbonyl]amino]-;2-ethyl-2-(phenylmethoxycarbonylamino)butanoic acid;SCHEMBL8981259;DTXSID60573245;AKOS013465572;EN300-84289

Chemical Property of 2-{[(Benzyloxy)carbonyl]amino}-2-ethylbutanoic acid

Chemical Property:

• PSA: 79.12000
• LogP: 2.76060
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 265.13140809
• Heavy Atom Count: 19
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(C(=O)O)NC(=O)OCC1=CC=CC=C1

Technology Process of 2-{[(Benzyloxy)carbonyl]amino}-2-ethylbutanoic acid

There total 2 articles about 2-{[(Benzyloxy)carbonyl]amino}-2-ethylbutanoic 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: 70.0%

diethylglycine (2566-29-2) + benzyl chloroformate (501-53-1,94274-21-2) → 2-(benzyloxycarboxamido)-2-ethylbutyric?acid (84310-95-2)

Guidance literature:

With hydrogenchloride; zinc; In water; acetonitrile;

Reference yield:

diethylglycine (2566-29-2) → 2-(benzyloxycarboxamido)-2-ethylbutyric?acid (84310-95-2)

Guidance literature:

With sodium hydroxide; benzyl chloroformate;

Reference yield: 95.0%

2-(benzyloxycarboxamido)-2-ethylbutyric?acid (84310-95-2) + N,N-dimethylethylenediamine (108-00-9) → benzyl?N-[1-(2-dimethylaminoethylcarbamoyl)-1-ethylpropyl]carbamate

Guidance literature:

2-(benzyloxycarboxamido)-2-ethylbutyric?acid; With N-ethyl-N,N-diisopropylamine; HATU; In dichloromethane; at 0 ℃; for 0.333333h;

N,N-dimethylethylenediamine; In dichloromethane; at 20 - 30 ℃;

upstream raw materials:

diethylglycine

benzyl chloroformate

Downstream raw materials:

4,4-diethyl-oxazolidine-2,5-dione

C₁₈H₂₇NO₄

Refernces

• 1、 Babu, Vommina V. Suresh,Ananda, Kuppanna. "Zinc promoted rapid and efficient synthesis of Fmoc- and Z-α,α-dialkylamino acids under neutral conditions". . p. 70 - 74. Retrieved 2007/10/03.