- 3,10-Diaminotricyclo(5.2.1.0(sup 2,6))decane
- 3,10-Dinitrophenanthrene
- 3-((10-ETHYL-11-(p-HYDROXYPHENYL)DIBENZ-(B,F)OXEPIN-3-YL)OXY)-1,2-PROPANEDIOL HYDRATE (4:1)
- 3-(1,1,2,2-Tetrafluoroethoxy)aniline
- 3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde
- 3-(1,1,2,2-Tetrafluoroethoxy)bromobenzene
- 3-(1,1,2,2-Tetrafluoroethoxy)toluene
- 3-[1,1'-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol
- 3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide
- 3-[(1,1-Dimethyl-2-hydroxyethyl)amino]-2-hydroxypropanesulfonicacid
- 917925-71-4(4-BROMO-PHENYL)-TERT-BUTOXYCARBONYLAMINO-ACETIC ACID
- 917926-33-1L-Proline,N-[(1,1-dimethylethoxy)carbonyl]-L-a-glutamyl-, 1-(1,1-dimethylethyl) ester
- 917942-73-5(E)-2-(4-BROMOSTYRYL)-5-CHLORONICOTINIC ACID
- 91796-57-5Benzenesulfinic acid, 4-methyl-,(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexylester, [S(R)]-
- 917969-79-03,5-Difluoro-4-(hydroxymethyl)phenylboronic acid-
- 91797-58-91-Naphthalenamine,4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-, (1R,4R)-rel-
- 917987-68-9[3H]PSB-298
- 918-00-32-Propanone,1,1,1-trichloro-
- 918-01-4bromo-dichloro-nitro-methane
- 918-02-52-Propanamine,N,N,2-trimethyl-
Hot Products
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- 7631-86-9Silicon dioxide
- 302-79-4Tretinoin
- 77-92-9Citric acid
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
3,3-Dimethyl-1-butyne |
EINECS | 213-035-3 |
| CAS No. | 917-92-0 | Density | 0.668 g/cm3 |
| PSA | 0.00000 | LogP | 1.66570 |
| Solubility | Miscible with chloroform, benzene and toluene. Immiscible with water. | Melting Point |
-78 °C |
| Formula | C6H10 | Boiling Point | 37.7 °C at 760 mmHg |
| Molecular Weight | 82.1454 | Flash Point | -34 °C |
| Transport Information | UN 3295 3/PG 2 | Appearance | colourless liquid |
| Safety | 3-16-26-33-7/9 | Risk Codes | 12-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 F+,  Xi
|
| Synonyms |
3,3,3-Trimethylpropyne;1-Butyne,3,3-dimethyl-;3,3-Dimethylbutyne;Neohexyne;tert-Butylacetylene;tert-Butylethyne; |
Article Data | 84 |
3,3-Dimethyl-1-butyne Synthetic route
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 60℃; for 2h; | 99% |
| With potassium tert-butylate In dimethyl sulfoxide for 2h; | 90% |
| With 1,6,17-trioxa-(2',5')-diphenyl-1',3',4'-oxadiazolo[6]phane; 3,4-benz-1,6,17-(O)3-(2',5')-Ph2-1',3',4'-oxadiazolo[6]phane; sodium methylate In dimethyl sulfoxide; Petroleum ether at 30℃; for 4h; | 65% |
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 60℃; for 2h; | 91% |
| With potassium hydroxide; tetraoctyl ammonium bromide In Petroleum ether at 90℃; for 6h; | 86% |
| With potassium tert-butylate; 18-crown-6 ether In Petroleum ether | 84% |
| With potassium hydroxide; 2,5-dimethyl-2,5-hexanediol at 100℃; for 0.75h; | 80% |
| With potassium tert-butylate Heating; |
- 640-21-1
1,2-dibromo-3,3-dimethylbutane
A
- 917-92-0
2,2-dimethyl-3-butyne
B
- 33693-77-5
2-Bromo-3,3-dimethyl-1-butene
C
- 13352-80-2
1-bromo-3,3-dimethylbut-1-ene
| Conditions | Yield |
|---|---|
| With potassium hydroxide; Aliquat 336 In xylene Heating; | A 91% B n/a C n/a |
- 931-48-6
2-cyclohexylacetylene
- 1610010-33-7
N-benzyl 4,4-dimethyl-pent-2-ynylamine
A
- 917-92-0
2,2-dimethyl-3-butyne
| Conditions | Yield |
|---|---|
| With Lu(N(SiMe3)2)3 In toluene at 130℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique; Sealed tube; | A n/a B 91% |
| Conditions | Yield |
|---|---|
| With palladium(II) sulfate; nickel(II) sulfate hexahydrate; methanesulfonic acid; sulfuric acid; sodium hydroxide In water at -5 - 5℃; under 3750.38 Torr; for 3h; Reagent/catalyst; Autoclave; | 90.2% |
- 17475-11-5
1-phenyl-4,4-dimethylpent-2-yn-1-one
- 917-92-0
2,2-dimethyl-3-butyne
| Conditions | Yield |
|---|---|
| With potassium hydroxide; water In 1,3,5-trimethyl-benzene distillation; | 90% |
- 32363-94-3
1,1-dichloro-3,3-dimethyl-1-butene
- 917-92-0
2,2-dimethyl-3-butyne
| Conditions | Yield |
|---|---|
| With methyllithium In tetrahydrofuran at -30 - 0℃; for 1h; Dehalogenation; | 90% |
| 90% |
- 16520-62-0
4-Phenyl-1-butyne
- 1610010-33-7
N-benzyl 4,4-dimethyl-pent-2-ynylamine
A
- 917-92-0
2,2-dimethyl-3-butyne
| Conditions | Yield |
|---|---|
| With Lu(N(SiMe3)2)3 In toluene at 130℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique; Sealed tube; | A n/a B 89% |
- 1610010-33-7
N-benzyl 4,4-dimethyl-pent-2-ynylamine
- 693-02-7
hex-1-yne
A
- 917-92-0
2,2-dimethyl-3-butyne
B
- 1379038-80-8
N-benzylhept-2-yn-1-amine
| Conditions | Yield |
|---|---|
| With Lu(N(SiMe3)2)3 In toluene at 130℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique; Sealed tube; | A n/a B 87% |
- 288390-74-9
3,3-dimethyl-1-(triphenylphosphanylidene)butan-2-one
- 917-92-0
2,2-dimethyl-3-butyne
| Conditions | Yield |
|---|---|
| at 750℃; under 0.01 Torr; for 3h; | 82% |
| at 750℃; for 3h; | 82% |
3,3-Dimethyl-1-butyne Specification
The 3,3-Dimethy-1-butyne, with the CAS registry number 917-92-0, is also known as tert-Butylacetylene. It belongs to the product categories of Pharmaceutical Intermediates; Acetylenes; Acetylenic Hydrocarbons. Its EINECS registry number is 213-035-3. This chemical's molecular formula is C6H10 and molecular weight is 82.1436. Its IUPAC name is called 3,3-dimethylbut-1-yne. 3,3-Dimethyl-1-butyne is colourless liquid which can be used as drugs intermediates for terbinafine and also can be used in organic synthesis.
Physical properties about 3,3-Dimethyl-1-butyne are: (1)ACD/LogP: 2.444; (2)ACD/LogD (pH 5.5): 2.44; (3)ACD/LogD (pH 7.4): 2.44; (4)ACD/BCF (pH 5.5): 42.40; (5)ACD/BCF (pH 7.4): 42.40; (6)ACD/KOC (pH 5.5): 508.70; (7)ACD/KOC (pH 7.4):508.70; (8)Index of Refraction: 1.411; (9)Molar Refractivity: 27.64 cm3; (10)Molar Volume: 111.389 cm3; (11)Polarizability: 10.957 10-24cm3; (12)Surface Tension: 23.3850002288818 dyne/cm; (13)Density: 0.737 g/cm3; (14)Flash Point: -41.238 °C; (15)Enthalpy of Vaporization: 27.075 kJ/mol; (16)Boiling Point: 37.699 °C at 760 mmHg; (17)Vapour Pressure: 480.921997070313 mmHg at 25°C
Preparation of 3,3-Dimethyl-1-butyne: 3-Dimethyl-1-butyne can be prepared by 1,1-dichloro-3,3-dimethyl-butane. This reaction will need reagent sodium amide and mineral oil. The reaction temperature is 90 - 95 °C.
.png)
Uses of 3,3-Dimethyl-1-butyne: 3-Dimethy-1-butyne can be used to produce 2,2,7,7-tetramethyl-octa-3,5-diyne at temperature of 55 - 65 °C. This reaction will need reagent CuCl, NH4Cl and diluted HCl.
.png)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)C#C
(2)InChI: InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3
(3)InChIKey: PPWNCLVNXGCGAF-UHFFFAOYSA-N
What can I do for you?
Get Best Price
