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CAS RN: 75-98-9 | Product Number: P0461

Pivalic Acid


Purity: >99.0%(GC)
Synonyms:
  • 2,2-Dimethylpropionic Acid
  • Trimethylacetic Acid
Documents:
25G
$17.00
≥20  3   ≥20 
100G
$18.00
10   2   ≥20 
400G
$36.00
19   3   ≥20 

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Product Number P0461
Purity / Analysis Method >99.0%(GC)
Molecular Formula / Molecular Weight C__5H__1__0O__2 = 102.13  
Physical State (20 deg.C) Solid
CAS RN 75-98-9
Reaxys Registry Number 969480
PubChem Substance ID 87574655
SDBS (AIST Spectral DB) 3139
Merck Index (14) 7511
MDL Number

MFCD00004194

Specifications
Appearance White or Colorless to Almost white or Almost colorless powder to lump to clear liquid
Purity(GC) min. 99.0 %
Purity(Neutralization titration) min. 98.0 %
Freezing point 32.0 to 36.0 °C
Properties (reference)
Melting Point 34 °C
Boiling Point 164 °C
Solubility in water Slightly soluble
Degree of solubility in water 25 g/l   20 °C
Solubility (very soluble in) Ether,Alcohol
GHS
Pictogram Pictogram Pictogram Pictogram
Signal Word Danger
Hazard Statements H302 + H312 : Harmful if swallowed or in contact with skin.
H314 : Causes severe skin burns and eye damage.
H371 : May cause damage to organs.
H402 : Harmful to aquatic life.
H290 : May be corrosive to metals.
Precautionary Statements P501 : Dispose of contents/ container to an approved waste disposal plant.
P273 : Avoid release to the environment.
P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.
P270 : Do not eat, drink or smoke when using this product.
P234 : Keep only in original container.
P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.
P390 : Absorb spillage to prevent material damage.
P308 + P311 : IF exposed or concerned: Call a POISON CENTER/doctor.
P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.
P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P363 : Wash contaminated clothing before reuse.
P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.
P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.
P406 : Store in corrosive resistant container with a resistant inner liner.
P405 : Store locked up.
Related Laws:
RTECS# TO7700000
Transport Information:
UN Number (DOT-AIR) UN3261
Class (DOT-AIR) 8
Packing Group (TCI-A) II
HS Number 2915.90.1800
Application
Synthesis of N―H Carbazoles via Ir-catalyzed Intramolecular C―H Amination

P1763,C2346,P0461

Typical Procedure:
To a 20 mL two-necked flask with a reflux condenser and a rubber cap are added 2-aminobiphenyls (0.5 mmol), [Cp*IrCl2]2 (0.01 mmol, 8.0 mg), Cu(OAc)2 (0.1 mmol, 18 mg), pivalic acid (1 mmol, 102 mg), 1-methylnaphthalene (ca. 30 mg) as an internal standard, and N-methyl-2-pyrrolidone (NMP, 3 mL). Then, the resulting mixture is stirred under air at 120 °C for 3-6 h. After cooling, the reaction mixture is extracted with ethyl acetate (100 mL). The organic layer is washed by aqueous NaHCO3 (100 mL×3), and dried over Na2SO4. After evaporation of the solvents under vacuum, the product is isolated by column chromatography on silica gel using hexane-ethyl acetate (10:1) as the eluent.

References


Application
Pd-Catalyzed Z-Selective Oxidative Amination of Olefins

Typical Procedure:
A mixture of butyl acrylate (128 mg, 1.0 mmol) and o-toluidine (322 mg, 3.0 mmol) is allowed to react with Pd(OAc)2 (6.7 mg, 0.03 mmol, 3 mol%) and pivalic acid (26 mg, 0.25 mmol) in NMP (0.5 mL) at 60 °C for 15 h under open air in a 30 mL round-bottomed flask. The crude reaction mixture is cooled to room temperature. EtOAc (30 mL) is added to the dark solution. The residue is purified by column chromatography on silica gel (EtOAc : Hexane = 1 : 40) to provide (Z)-butyl 3-(o-tolylamino)acrylate (210 mg, Y. 90%).

References


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