Butanoic acid, 2-hydroxy-3-methyl-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Butanoic acid, 2-hydroxy-3-methyl-, 1,1-dimethylethyl ester
• CAS No.: 2528-17-8
• Molecular Formula: C₉H₁₈O₃
• Molecular Weight: 174.24
• Hs Code.: 2918199090
• Mol file: 2528-17-8.mol

Synonyms:Butyricacid, 2-hydroxy-3-methyl-, tert-butyl ester (7CI,8CI)

Chemical Property of Butanoic acid, 2-hydroxy-3-methyl-, 1,1-dimethylethyl ester

Chemical Property:

• Vapor Pressure: 0.155mmHg at 25°C
• Melting Point: 30-31 °C
• Boiling Point: 189.5°C at 760 mmHg
• PKA: 12.94±0.20(Predicted)
• Flash Point: 63°C
• PSA: 46.53000
• Density: 0.974g/cm³
• LogP: 1.34500

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Butanoic acid, 2-hydroxy-3-methyl-, 1,1-dimethylethyl ester

There total 1 articles about Butanoic acid, 2-hydroxy-3-methyl-, 1,1-dimethylethyl 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:

2-hydroxy-3-methylbutanoic acid (4026-18-0,17407-55-5,17407-56-6,600-37-3) + isobutene (115-11-7,15220-85-6) → α-hydroxy-isovaleric acid t-butyl ester (2528-17-8)

Guidance literature:

Reference yield:

α-hydroxy-isovaleric acid t-butyl ester (2528-17-8) → 1(Boc,Cbz-L-phenylalanyl)-pyrrol-2-ylcarbonyl-α-oxy-isovaleric acid t-butyl ester

Guidance literature:

Multi-step reaction with 2 steps

1: DMAP / CH₂Cl₂

2: 60 percent NaH / tetrahydrofuran; paraffin / 0 deg C, 30 min; RT, overnight

With dmap; sodium hydride; In tetrahydrofuran; dichloromethane; paraffin;

DOI:10.1016/S0040-4020(01)80689-X

Reference yield:

α-hydroxy-isovaleric acid t-butyl ester (2528-17-8) → Benzyloxycarbonyl-valyl-(α-hydroxy-isovaleryl)-valin (47710-73-6,105453-90-5)

Guidance literature:

Multi-step reaction with 6 steps

1: (i) PhSO₂Cl, Py, (ii) /BRN= 1858128/

2: TsOH / benzene / Heating

3: (i) DCC, THF, (ii) H₂, Pd, MeOH

4: N₂H₄ / methanol

5: (i) PhSO₂Cl, Py, (ii) /BRN= 2417864/

6: (acid hydrolysis)

With toluene-4-sulfonic acid; hydrazine; In methanol; benzene;

upstream raw materials:

2-hydroxy-3-methylbutanoic acid

isobutene

Downstream raw materials:

O-(2-Benzyloxycarbonyl-benzoyl)-α-hydroxy-isovaleriansaeure-tert.-butylester

Benzyloxycarbonyl-valyl-(α-hydroxy-isovaleryl)-valin

Benzyloxycarbonyl-valyl-(α-hydroxy-isovaleryl)-valin-tert.-butylester

(Benzyloxycarbonyl-valyl)-(α-hydroxy-isovaleryl)-valyl-(α-hydroxy-isovaleryl)-valin