| Identification | More | [Name]
tert-Butyl acetoacetate | [CAS]
1694-31-1 | [Synonyms]
3-oxo-butanoic acid 1,1-dimethylethyl ester
ACETOACETIC ACID TERT-BUTYL ESTER
ACTB
TBAA
T-BUTYL ACETOACETATE
TERT-BUTYL ACETOACETATE
Butanoicacid,3-oxo-,1,1-dimethylethylester
ter'-Butylacetoacetate
tert-Butyl 3-oxobutanoate
tert-Butyl 3-Oxobutyrate
#ntert.-Butylacetoacetate
TERT-BUTYL ACETOACETATE, WACKER QUALITY
TERT-BUTYL ACETOACETATE, REAGENT GRADE, 98%
1,1-Dimethylethyl 3-oxobutanoate
tert-Butyl acetoacetate, 98+%
tert-B-butyl acetoacetate, 99% | [EINECS(EC#)]
216-904-5 | [Molecular Formula]
C8H14O3 | [MDL Number]
MFCD00008811 | [Molecular Weight]
158.19 | [MOL File]
1694-31-1.mol |
| Chemical Properties | Back Directory | [Appearance]
liquid | [Melting point ]
-38 °C (lit.) | [Boiling point ]
71-72 °C/11 mmHg (lit.) | [density ]
0.954 g/mL at 25 °C(lit.) | [vapor pressure ]
79.32Pa at 25℃ | [refractive index ]
n20/D 1.419
| [Fp ]
150 °F
| [storage temp. ]
-20°C | [solubility ]
9g/l | [form ]
Liquid | [pka]
10.71±0.46(Predicted) | [color ]
clear | [PH]
5.7 (9g/l, H2O, 20℃) | [biological source]
rabbit | [explosive limit]
1.1%(V) | [Water Solubility ]
Soluble in water (9g/L). | [Usage]
Intermediate for the syntheses of different organic chemicals. Product Data Sheet | [BRN ]
1680303 | [InChIKey]
JKUYRAMKJLMYLO-UHFFFAOYSA-N | [LogP]
0.67-1.41 at 20℃ | [CAS DataBase Reference]
1694-31-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Butanoic acid, 3-oxo-, 1,1-dimethylethyl ester(1694-31-1) | [EPA Substance Registry System]
1694-31-1(EPA Substance) |
| Safety Data | Back Directory | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
3272 | [WGK Germany ]
1
| [TSCA ]
Yes | [HazardClass ]
3.2 | [PackingGroup ]
III | [HS Code ]
29183000 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
tert-Butanol-->Acetyl ketene-->METHANE | [Preparation Products]
ETHYL 2-(5-FORMYL-2,4-DIMETHYL-1H-PYRROL-3-YL)ACETATE-->ETHYL 4-CHLORO-3-METHYLTHIENO[2,3-B]PYRIDINE-5-CARBOXYLATE-->4-CHLORO-5-METHYLTHIENO[2,3-D]PYRIMIDINE-->5-METHYL-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-4-ONE-->2,2,6-Trimethyl-4H-1,3-dioxin-4-one-->2-(CHLOROMETHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE-->Acetoacetanilide-->ETHYL 2-AMINO-4-METHYLTHIOPHENE-3-CARBOXYLATE-->Methyl (R)-(-)-3-hydroxybutyrate-->1-(4-NITROPHENYL)-3-METHYL-5-PYRAZOLONE-->N,N'-(1,4-Phenylene)bis(acetoacetamide)-->N-Benzylacetoacetamide-->tert-butyl 2-(2,3-difluoro-6-nitrophenyl)-3-oxobutanoate-->Cyclopropanecarboxylic acid, 1-acetyl-, 1,1-dimethylethyl ester-->TERT-BUTYL 2-ACETOXYACETOACETATE |
| Questions And Answer | Back Directory | [Description]
Tert-Butyl acetoacetate is a reagent used to acetoacetylate hydroxyl-bearing coatings resins, such as polyesters, acrylics, cellulosics, and epoxies. It can be used as an acetoacetylating reagent in pharmaceutical, agrichemical, and pigment applications. It is used as an intermediate for the syntheses of different organic chemicals. For instance, it may be used to synthesize various acetoacetic acid derivatives, acetoacetates, acetoacetamides, 1-(diethylamino)-2-acetoacetoxypropane, (S)-tert-butyl 3-hydroxybutyrate, benzothiazole β-keto ester derivatives, and 3,4-disubstituted pyrroles.
|
| Hazard Information | Back Directory | [Chemical Properties]
liquid | [Uses]
Intermediate for the syntheses of different organic chemicals. Product Data Sheet | [General Description]
tert-Butyl acetoacetate (t-BAA) is a cheap and easy to store commercial reagent. Reaction demonstrated that the more hindered tert-butyl acetoacetate (t-BAA, la) is ca.15-20-fold more reactive than the more commonly used methyl or ethyl analogs. It is widely employed as an acetoacetylating reagent. | [Flammability and Explosibility]
Flammable | [Biochem/physiol Actions]
β-Actin modulates cell growth, migration and the G-actin pool. Mutations in ACTB leads to pleiotropic developmental disorder. | [Purification Methods]
Distil it under reduced pressure through a short column. [Lawesson et al. Org Synth Coll Vol V 155 1973, Lawesson et al. Org Synth 42 28 1962, Beilstein 3 IV 1536.] HARMFUL VAPOUR. |
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