No renderable structure data available
CC(C)(C)C(=O)CSCChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 3,3-dimethyl-1-methylsulfanylbutan-2-one |
|---|---|
| IUPAC Name | — |
| CAS Number | 39199-12-7 |
| Database ID | 170168 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3,3-dimethyl-1-methylsulfanylbutan-2-one (CAS 39199-12-7) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 170168
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-50b08aec09144bb99c157c504f307b81Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-f7af433309484918a8ffa9e7efd1d3c9Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 20.4 g (0.14 mol) of 3,3-dimethyl-1-methylthio-2-butanone, 19.6 g (0.28 mol) of hydroxylamine hydrochloride and 14.8 g (0.14 mol) of anhydrous sodium carbonate in 140 ml of 95% ethanol and 80 ml of water was heated at reflux for 16 hr. The resulting nearly colorless solution was stripped of volatiles on a rotary evaporator to yield a two layered liquid residue. This residue was extracted with four portions of ethyl acetate. The organic extract was dried over magnesium sulfate, filtered from the drying agent and stripped of solvent. Distillation of the residue gave the desired product as a colorless liquid, b. 83° C./0.6 mm Hg, nD22 1.4989. at reflux for 16 hr The resulting nearly colorless solution was stripped of volatiles on a rotary evaporator to yield a two layered liquid residue This residue was extracted with four portions of ethyl acetate The organic extract was dried over magnesium sulfate filtered from the drying agent Distillation of the residue
Source ID: ord-d97665f40c72454d8ee6d5735a6aeea0Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 20.4 g (0.14 mol) of 3,3-dimethyl-1-methylthio-2-butanone, 19.6 g (0.28 mol) of hydroxylamine hydrochloride and 14.8 g (0.14 mol) of anhydrous sodium carbonate in 140 ml of 95% ethanol and 80 ml of water was heated at reflux for 16 hr. The resulting nearly colorless solution was stripped of volatiles on a rotary evaporator to yield a two layered liquid residue. This residue was extracted with four portions of ethyl acetate. The organic extract was dried over magnesium sulfate, filtered from the drying agent and stripped of solvent. Distillation of the residue gave the desired product as a colorless liquid, b. 83° C./0.6 mm Hg, nD22 1.4989. at reflux for 16 hr The resulting nearly colorless solution was stripped of volatiles on a rotary evaporator to yield a two layered liquid residue This residue was extracted with four portions of ethyl acetate The organic extract was dried over magnesium sulfate filtered from the drying agent Distillation of the residue
Source ID: ord-af7bcafc08394ee68fe6ba835ec2a9ffConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 20.4 g (0.14 mol) of 3,3-dimethyl-1-methylthio-2-butanone, 19.6 g (0.28 mol) of hydroxylamine hydrochloride and 14.8 g (0.14 mol) of anhydrous sodium carbonate in 140 ml of 95% ethanol and 80 ml of water was heated at reflux for 16 hr. The resulting nearly colorless solution was stripped of volatiles on a rotary evaporator to yield a two layered liquid residue. This residue was extracted with four portions of ethyl acetate. The organic extract was dried over magnesium sulfate, filtered from the drying agent and stripped of solvent. Distillation of the residue gave the desired product as a colorless liquid, b. 83° C./0.6 mm Hg, nD22 1.4989. at reflux for 16 hr The resulting nearly colorless solution was stripped of volatiles on a rotary evaporator to yield a two layered liquid residue This residue was extracted with four portions of ethyl acetate The organic extract was dried over magnesium sulfate filtered from the drying agent Distillation of the residue
Source ID: ord-af7bcafc08394ee68fe6ba835ec2a9ffConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of sodium ethoxide prepared from 7.7 g (0.33 mol) of sodium metal and 200 ml of absolute alcohol was added 19 g (0.4 mol) of methanethiol over 10 min at ± 2° C. To this solution of thiomethoxide was added dropwise, over 25 min. 59 g (0.28 mol) of 1-bromo-3,3-dimethyl-2-butanone prepared according to the procedure of J. Am. Chem. Soc. 74, 4507 (1952). The temperature was maintained at 0° ± 3° C. during the addition and for a further 30 min. The reaction mixture was filtered and the solvent removed by distillation. Vacuum distillation of the residue gave the desired product as a colorless liquid, b. 73° C./9.3 mm Hg, nD24 1.4650 in 54% pure yield. The temperature was maintained at 0° ± 3° C. during the addition and for a further 30 min The reaction mixture was filtered the solvent removed by distillation Vacuum distillation of the residue
Source ID: ord-bfe99a01f3df40beb9a4bac47b796053Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of sodium ethoxide prepared from 7.7 g (0.33 mol) of sodium metal and 200 ml of absolute alcohol was added 19 g (0.4 mol) of methanethiol over 10 min at ± 2° C. To this solution of thiomethoxide was added dropwise, over 25 min. 59 g (0.28 mol) of 1-bromo-3,3-dimethyl-2-butanone prepared according to the procedure of J. Am. Chem. Soc. 74, 4507 (1952). The temperature was maintained at 0° ± 3° C. during the addition and for a further 30 min. The reaction mixture was filtered and the solvent removed by distillation. Vacuum distillation of the residue gave the desired product as a colorless liquid, b. 73° C./9.3 mm Hg, nD24 1.4650 in 54% pure yield. The temperature was maintained at 0° ± 3° C. during the addition and for a further 30 min The reaction mixture was filtered the solvent removed by distillation Vacuum distillation of the residue
Source ID: ord-bfe99a01f3df40beb9a4bac47b796053Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 20.4 g (0.14 mol) of 3,3-dimethyl-1-methylthio-2-butanone, 19.6 g (0.28 mol) of hydroxylamine hydrochloride and 14.8 g (0.14 mol) of anhydrous sodium carbonate in 140 ml of 95% ethanol and 80 ml of water was heated at reflux for 16 hr. The resulting nearly colorless solution was stripped of volatiles on a rotary evaporator to yield a two layered liquid residue. This residue was extracted with four portions of ethyl acetate. The organic extract was dried over magnesium sulfate, filtered from the drying agent and stripped of solvent. Distillation of the residue gave the desired product as a colorless liquid, b. 83° C./0.6 mm Hg, nD22 1.4989. at reflux for 16 hr The resulting nearly colorless solution was stripped of volatiles on a rotary evaporator to yield a two layered liquid residue This residue was extracted with four portions of ethyl acetate The organic extract was dried over magnesium sulfate filtered from the drying agent Distillation of the residue
Source ID: ord-31191f665e164b079d33940ffbc63695Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 20.4 g (0.14 mol) of 3,3-dimethyl-1-methylthio-2-butanone, 19.6 g (0.28 mol) of hydroxylamine hydrochloride and 14.8 g (0.14 mol) of anhydrous sodium carbonate in 140 ml of 95% ethanol and 80 ml of water was heated at reflux for 16 hr. The resulting nearly colorless solution was stripped of volatiles on a rotary evaporator to yield a two layered liquid residue. This residue was extracted with four portions of ethyl acetate. The organic extract was dried over magnesium sulfate, filtered from the drying agent and stripped of solvent. Distillation of the residue gave the desired product as a colorless liquid, b. 83° C./0.6 mm Hg, nD22 1.4989. at reflux for 16 hr The resulting nearly colorless solution was stripped of volatiles on a rotary evaporator to yield a two layered liquid residue This residue was extracted with four portions of ethyl acetate The organic extract was dried over magnesium sulfate filtered from the drying agent Distillation of the residue
Source ID: ord-31191f665e164b079d33940ffbc63695Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of sodium ethoxide prepared from 7.7 g (0.33 mol) of sodium metal and 200 ml of absolute alcohol was added 19 g (0.4 mol) of methanethiol over 10 min at ±2° C. To this solution of thiomethoxide was added dropwise, over 25 min. 59 g (0.28 mol) of 1-bromo-3,3-dimethyl-2-butanone prepared according to the procedure of J. Am. Chem. Soc. 74, 4507 (1952). The temperature was maintained at 0±3° C. during the addition and for a further 30 min. The reaction mixture was filtered and the solvent removed by distillation. Vacuum distillation of the residue gave the desired product as a colorless liquid, b. 73° C./9.3 mm Hg, nD24 1.4650 in 54% pure yield. The reaction mixture was filtered the solvent removed by distillation Vacuum distillation of the residue
Source ID: ord-64daff32b7224321b96ff89cf24cb1e9Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of sodium ethoxide prepared from 7.7 g (0.33 mol) of sodium metal and 200 ml of absolute alcohol was added 19 g (0.4 mol) of methanethiol over 10 min at ±2° C. To this solution of thiomethoxide was added dropwise, over 25 min. 59 g (0.28 mol) of 1-bromo-3,3-dimethyl-2-butanone prepared according to the procedure of J. Am. Chem. Soc. 74, 4507 (1952). The temperature was maintained at 0±3° C. during the addition and for a further 30 min. The reaction mixture was filtered and the solvent removed by distillation. Vacuum distillation of the residue gave the desired product as a colorless liquid, b. 73° C./9.3 mm Hg, nD24 1.4650 in 54% pure yield. The reaction mixture was filtered the solvent removed by distillation Vacuum distillation of the residue
Source ID: ord-64daff32b7224321b96ff89cf24cb1e9Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 20.4 g (0.14 mol) of 3,3-dimethyl-1-methylthio-2-butanone, 19.6 g (0.28 mol) of hydroxylamine hydrochloride and 14.8 g (0.14 mol) of anhydrous sodium carbonate in 140 ml of 95% ethanol and 80 ml of water was heated at reflux for 16 hr. The resulting nearly colorless solution was stripped of volatiles on a rotary evaporator to yield a two layered liquid residue. This residue was extracted with four portions of ethyl acetate. The organic extract was dried over magnesium sulfate, filtered from the drying agent and stripped of solvent. Distillation of the residue gave the desired product as a colorless liquid, b. 83° C./0.6 mm Hg, nD22 1.4989. at reflux for 16 hr The resulting nearly colorless solution was stripped of volatiles on a rotary evaporator to yield a two layered liquid residue This residue was extracted with four portions of ethyl acetate The organic extract was dried over magnesium sulfate filtered from the drying agent Distillation of the residue
Source ID: ord-7202b02a95a04d70a676fe0c4839f4e1PubChem References
These sources are listed in the compound's public database record.
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