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Cas Database |
| Name |
2-Phenyl-1-butene |
EINECS | 248-846-1 |
| CAS No. | 2039-93-2 | Density | 0.871 g/cm3 |
| PSA | 0.00000 | LogP | 3.10980 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H12 | Boiling Point | 184.8 °C at 760 mmHg |
| Molecular Weight | 132.205 | Flash Point | 57.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
a-Ethylstyrene;Styrene, a-ethyl- (7CI,8CI); |
Article Data | 109 |
2-Phenyl-1-butene Synthetic route
| Conditions | Yield |
|---|---|
| With copper(I) bromide; lithium bromide In tetrahydrofuran at -60℃; for 1h; | 98% |
| Conditions | Yield |
|---|---|
| Stage #1: Methyltriphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran at 20℃; for 1h; Wittig Olefination; Inert atmosphere; Stage #2: 1-phenyl-propan-1-one In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; | 97% |
| Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 2h; Schlenk technique; Stage #2: 1-phenyl-propan-1-one In tetrahydrofuran at 0 - 20℃; | 90% |
| Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran at 0℃; for 1h; Inert atmosphere; Stage #2: 1-phenyl-propan-1-one In tetrahydrofuran at 20℃; Inert atmosphere; | 87% |
| Conditions | Yield |
|---|---|
| With cis,cis,cis-tetrakis[(diphenylphosphanyl)methyl]cyclopentane; potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)) In xylene at 80℃; for 20h; Suzuki reaction; | 91% |
- 62726-47-0
β-phenylisovaleryl peroxide
A
- 29598-22-9
4,4-dimethyl-2-oxo-chroman
B
- 3290-53-7
2-methyl-1-phenyl-2-propene
C
- 768-49-0
(2-methyl-1-propenyl)-benzene
D
- 2039-93-2
1-ethylstyrene
E
- 1010-48-6
3-methyl-3-phenylbutanoic acid
F
- 62698-31-1
3-Methyl-3-phenyl-butyric acid 1,1-dimethyl-2-phenyl-ethyl ester
| Conditions | Yield |
|---|---|
| With P1 silica Product distribution; Rate constant; CH3CN as a solvent, other temperature, possible ways of the products formation; | A 7.73 % Chromat. B 35.5 % Chromat. C 4.2 % Chromat. D 3.78 % Chromat. E 87% F 6.21 % Chromat. |
- 47025-43-4, 19365-61-8
methylenetriphenylarsorane
- 2114-36-5, 101308-38-7
1-bromopropylbenzene
A
- 873-66-5
1-propenylbenzene
B
- 2039-93-2
1-ethylstyrene
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane for 1h; Ambient temperature; | A 85% B 13% |
- 1565-75-9, 19641-57-7
2-phenyl-2-butanol
- 2039-93-2
1-ethylstyrene
| Conditions | Yield |
|---|---|
| With acetic anhydride; magnesium bromide In dichloromethane at 20℃; for 5h; Dehydration; | 83% |
| Conditions | Yield |
|---|---|
| tetrakis(triphenylphosphine) palladium(0) at 25℃; for 2h; | 80% |
| With tetrakis(triphenylphosphine) palladium(0) In hexane; 1,2-dichloro-ethane at 25℃; for 2h; | 80% |
- 76373-10-9
(trimethylstannyl)methyl-lithium
- 94083-30-4
(CH3)2C4H9SnCH2Li
- 93-55-0
1-phenyl-propan-1-one
- 2039-93-2
1-ethylstyrene
| Conditions | Yield |
|---|---|
| 78% |
| Conditions | Yield |
|---|---|
| 78% |
| Conditions | Yield |
|---|---|
| With cis,cis,cis-tetrakis[(diphenylphosphanyl)methyl]cyclopentane; potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)) In xylene at 130℃; for 20h; Suzuki reaction; | 78% |
2-Phenyl-1-butene Specification
The CAS register number of Benzene,(1-methylenepropyl)- is 2039-93-2. It also can be called as (1-Methylenepropyl)benzene and the IUPAC name about this chemical is but-1-en-2-ylbenzene. The molecular formula about this chemical is C10H12 and the molecular weight is 132.2.
Physical properties about Benzene,(1-methylenepropyl)- are: (1)ACD/LogP: 3.78; (2)ACD/LogD (pH 5.5): 3.78; (3)ACD/LogD (pH 7.4): 3.78; (4)ACD/BCF (pH 5.5): 441.87; (5)ACD/BCF (pH 7.4): 441.87; (6)ACD/KOC (pH 5.5): 2723.35; (7)ACD/KOC (pH 7.4): 2723.35; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.505; (10)Molar Refractivity: 45.08 cm3; (11)Molar Volume: 151.7 cm3; (12)Polarizability: 17.87x10-24cm3; (13)Surface Tension: 28.9 dyne/cm; (14)Flash Point: 57.1 °C; (15)Enthalpy of Vaporization: 40.38 kJ/mol; (16)Boiling Point: 184.8 °C at 760 mmHg; (17)Vapour Pressure: 0.986 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C=C(\c1ccccc1)CC
(2)InChI: InChI=1/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
(3)InChIKey: SQHOHKQMTHROSF-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
(5)Std. InChIKey: SQHOHKQMTHROSF-UHFFFAOYSA-N
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