BOC,TBU-BETA-ALA-OH

Base Information

• Chemical Name: BOC,TBU-BETA-ALA-OH
• CAS No.: 79777-82-5
• Molecular Formula: C₁₂H₂₃NO₄
• Molecular Weight: 245.319
• Hs Code.: 29225090
• Mol file: 79777-82-5.mol

Synonyms:L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-4-methyl- (9CI); (S)-2-(tert-Butoxycarbonylamino)-4,4-dimethylpentanoicacid

Chemical Property of BOC,TBU-BETA-ALA-OH

Chemical Property:

• Vapor Pressure: 2.64E-06mmHg at 25°C
• Boiling Point: 364.4°C at 760 mmHg
• PKA: 4.03±0.23(Predicted)
• Flash Point: 174.2°C
• PSA: 75.63000
• Density: 1.048±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 2.79140
• Storage Temp.: Store at RT.

Purity/Quality:

97% ^*data from raw suppliers

Boc-β-t-butyl-l-alanine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Boc-beta-t-butyl-l-alanine was a useful reagent in preparation of cell-penetrating peptide α-keto-amide calpain inhibitors as potential treatment for muscular dystrophy.

Technology Process of BOC,TBU-BETA-ALA-OH

There total 25 articles about BOC,TBU-BETA-ALA-OH 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: 90.0%

tert-butyldicarbonate (34619-03-9) + N-formyl-L-neopentylglycine (88319-40-8,88319-41-9,88319-42-0) → N-tert-butyloxycarbonyl-L-neopentylglycine (79777-82-5,112695-98-4)

Guidance literature:

With sodium hydrogencarbonate; In 1,4-dioxane; water; for 2h; Ambient temperature;

Reference yield: 87.0%

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile (58632-95-4) + (S)-2-Amino-4,4-dimethyl-pentanoic acid (57224-50-7) → N-(tert-butoxycarbonyl)-L-tert-leucine (112695-98-4,79777-82-5)

Guidance literature:

With triethylamine; In 1,4-dioxane; water;

DOI:10.1248/cpb.41.1391

Reference yield: 77.0%

((S)-1-hydroxymethyl-3,3-dimethyl-butyl)-carbamic acid tert-butyl ester (154092-71-4) → N-(tert-butoxycarbonyl)-L-tert-leucine (112695-98-4,79777-82-5)

Guidance literature:

With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; Isopropyl acetate; sodium hydrogencarbonate; sodium bromide; at 0 - 25 ℃;

upstream raw materials:

tert-butyldicarbonate

N-formyl-D-neopentylglycine

(E)-2-cyano-4,4-dimethyl-pent-2-enoic acid

3,3-dimethylbutyrylaldehyde

Downstream raw materials:

(2S)-2-[[(tert-butoxy)carbonyl](methyl)amino]-4,4-dimethylpentanoic acid

(S)-1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-(dibutylamino)-4,4-dimethylpentan-2-yl)thiourea

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