- 3, 3-Dimethylbutanal
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- $5.00 / 1KG
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2025-05-26
- CAS:2987-16-8
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: 10000kg
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| | 3,3-dimethylbutanal Basic information |
| Product Name: | 3,3-dimethylbutanal | | Synonyms: | TERT-BUTYLACETALDEHYDE;3,3-DIMETHYLBUTYRALDEHYDE;Butanal, 3,3-dimethyl-;3,3-DIMETHYL-BUTYRALDEHYDE,97+%;3,3-Dimethylbutanal, tert-Butylacetaldehyde;3,3-Dimethylbutan-1-one;3,3-Dimethylbutyraldehyde,3,3-Dimethylbutanal, tert-Butylacetaldehyde;3,3-Dimethylbutyraldehyde≥ 98% (GC) | | CAS: | 2987-16-8 | | MF: | C6H12O | | MW: | 100.16 | | EINECS: | 221-054-3 | | Product Categories: | bc0001 | | Mol File: | 2987-16-8.mol |  |
| | 3,3-dimethylbutanal Chemical Properties |
| Melting point | -72.5°C (estimate) | | Boiling point | 104-106 °C (lit.) | | density | 0.798 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.397(lit.) | | Fp | 51 °F | | storage temp. | Inert atmosphere,Store in freezer, under -20°C | | solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) | | form | Liquid | | color | Clear colorless | | Sensitive | Air & Moisture Sensitive | | BRN | 1735829 | | Stability: | Air Sensitive (Oxidize) | | InChI | 1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3 | | InChIKey | LTNUSYNQZJZUSY-UHFFFAOYSA-N | | SMILES | CC(C)(C)CC=O | | CAS DataBase Reference | 2987-16-8(CAS DataBase Reference) | | NIST Chemistry Reference | 3,3-Dimethylbutyraldehyde(2987-16-8) |
| Hazard Codes | F,Xi | | Risk Statements | 11-36/37/38 | | Safety Statements | 16-23 | | RIDADR | UN 1989 3/PG 2 | | WGK Germany | 3 | | F | 10-23 | | HazardClass | 3.1 | | PackingGroup | II | | HS Code | 29121900 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Eye Irrit. 2
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3 |
| | 3,3-dimethylbutanal Usage And Synthesis |
| Chemical Properties | Colorless to light yellow liquid | | Uses | 3,3-Dimethylbutyraldehyde is an intermediate used to prepare spiro-oxindoles as potent, specific small-molecule Inhibitors of the MDM2-p53 Interaction. | | Preparation | 3,3-dimethylbutanal is prepared from 3,3-dimethylbutanol obtained by reduction of the corresponding carboxylic acid or 1,2-epoxy-3,3-dimethylbutane, or by hydrolysis of 1-halo-3,3-dimethylbutane. | | References | [1] SETRAK K. TANIELYAN Robert L A. Synthesis of 3,3-Dimethylbutanol and 3,3-Dimethylbutanal, Important Intermediates in the Synthesis of Neotame[J]. Topics in Catalysis, 2012, 55 7-10: 625-630. DOI:10.1007/s11244-012-9841-z.
[2] JOVAN M. TADI*. Photochemistry and Photophysics of n-Butanal, 3-Methylbutanal, and 3,3-Dimethylbutanal: Experimental and Theoretical Study[J]. The Journal of Physical Chemistry A, 2011, 116 24: 5830-5839. DOI:10.1021/jp208665v.
[3] SARA M. ASCHMANN Roger A Janet Arey. Kinetics and Products of the Reactions of OH Radicals with 4,4-Dimethyl-1-pentene and 3,3-Dimethylbutanal at 296 ± 2 K[J]. The Journal of Physical Chemistry A, 2010, 114 18: 5810-5816. DOI:10.1021/jp101893g.
[4] https://pubchem.ncbi.nlm.nih.gov/patent/US-7348459-B2 |
| | 3,3-dimethylbutanal Preparation Products And Raw materials |
| Raw materials | 3,3-DIMETHYL-1-BUTANOL-->2-Chloro-2-methylpropane-->Vinyl acetate | | Preparation Products | (3S,3'S,4'R,6'R,8'S,8'aR)-6-chloro-8'-(3-chloro-2-fluorophenyl)-6'-(2,2-dimethylpropyl)-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione-->6-TERT-BUTYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE-->ETHYL 5-(TERT-BUTYL)-2-METHYL-3-FUROATE-->2-AMINO-5-TERT-BUTYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER-->3-hydroxy-5,5-dimethylhexanoic acid-->methyl 2-amino-5-tert-butylthiophene-3-carboxylate |
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