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| CAS No.: | 7785-70-8 |
|---|---|
| Name: | (1R)-(+)-alpha-Pinene |
| Article Data: | 31 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H16 |
| Molecular Weight: | 136.237 |
| Synonyms: | 2-Pinene,(1R,5R)-(+)- (8CI);Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)-;(+)-(1R)-a-Pinene;(+)-(1R,5R)-a-Pinene;(+)-2-Pinene;(+)-a-Pinene;(1R)-a-Pinene;(1R,5R)-(+)-a-Pinene;(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene;(R)-(+)-a-Pinene;d-a-Pinene; |
| EINECS: | 232-087-8 |
| Density: | 0.879 g/cm3 |
| Melting Point: | -62 °C(lit.) |
| Boiling Point: | 157.9 °C at 760 mmHg |
| Flash Point: | 32.2 °C |
| Solubility: | Soluble in Ether, Alcohols, Chloroform. Not miscible in water. |
| Appearance: | Clear colourless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-23 |
| Transport Information: | UN 2368 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.99870 |
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- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
| Conditions | Yield |
|---|---|
| With boron trifluoride diethyl etherate; isobutyraldehyde at 65℃; for 12h; | A 90% B 90% |
- 21932-54-7
diisopinocampheylborane
- 7785-70-8
(+)-α-pinene
| Conditions | Yield |
|---|---|
| Stage #1: With benzaldehyde at 50℃; Oxidation; Stage #2: diisopinocampheylborane With boron trifluoride diethyl etherate at 100℃; for 1h; Oxidation; | 86% |
| Conditions | Yield |
|---|---|
| With boron trifluoride diethyl etherate; isobutyraldehyde at 65℃; for 12h; | A 84% B 67% |
- 7785-70-8
(+)-α-pinene
| Conditions | Yield |
|---|---|
| Stage #1: diisopinocampheylborane With benzaldehyde Inert atmosphere; Cooling with ice; Stage #2: With boron trifluoride diethyl etherate at 100℃; for 1h; Inert atmosphere; | 71% |
- 911673-20-6
(1S,4R,5R)-3-iodo-4,6,6-trimethylbicyclo[3.1.1]hept-2-ene
A
- 7785-70-8
(+)-α-pinene
B
- 473-62-1
(1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
C
- 190715-28-7
6,6-dimethyl4-methylidenebicyclo[3.1.1]hept-2-ene
| Conditions | Yield |
|---|---|
| Stage #1: (1S,4R,5R)-3-iodo-4,6,6-trimethylbicyclo[3.1.1]hept-2-ene With potassium tert-butylate In diethylene glycol dimethyl ether at 170℃; for 8h; Stage #2: With silica gel In hexane | A 6% B 32% C 54% |
- 62697-75-0
(-)-isopinocamphyl tosylate
A
- 7785-70-8
(+)-α-pinene
B
- 24031-98-9
(1S,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-2-ene
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 110℃; for 3h; Title compound not separated from byproducts.; | A 45% B 45% |
| Conditions | Yield |
|---|---|
| With tetrachloromethane; triphenylphosphine for 16h; Heating; | A n/a B 30% |
| Conditions | Yield |
|---|---|
| With chloranil In dichloromethane; acetonitrile Irradiation; Yield given; | A n/a B n/a C 5% |
- 64-17-5
ethanol
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(1R,2S,3R)-3-(toluene-sulfonyl-(4)-oxy)-pinane
- 141-52-6
sodium ethanolate
A
- 7785-70-8
(+)-α-pinene
B
- 24031-99-0
(-)-trans-δ-pinene
- 64-17-5
ethanol
- 14575-88-3, 14575-89-4, 14575-90-7, 14575-91-8, 35117-65-8, 62697-75-0, 98250-53-4
(1R,2R,3S)-3-(toluene-sulfonyl-(4)-oxy)-pinane
- 141-52-6
sodium ethanolate
A
- 7785-70-8
(+)-α-pinene
B
- 24031-98-9
(1S,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-2-ene
- 778571-57-6L-Threonic acid magnesium salt
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- 7789-41-5Calcium bromide
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
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- 10161-34-9Trenbolone acetate
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- 68-19-9Cyanocobalamin
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Specification
The Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-, (1R,5R)-, with the CAS registry number 7785-70-8 and EINECS registry number 232-087-8, has the systematic name of (1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene. It is a kind of clear colourless liquid, and belongs to the product categories: Industrial/Fine Chemicals; Bicyclic Monoterpenes; Biochemistry; Terpenes. The molecular formula of the chemical is C10H16.
The characteristics of Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-, (1R,5R)- are as followings: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.37; (4)ACD/LogD (pH 7.4): 4.37; (5)ACD/BCF (pH 5.5): 1237.71; (6)ACD/BCF (pH 7.4): 1237.71; (7)ACD/KOC (pH 5.5): 5692.39; (8)ACD/KOC (pH 7.4): 5692.39; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 43.96 cm3; (15)Molar Volume: 154.9 cm3; (16)Polarizability: 17.42×10-24cm3; (17)Surface Tension: 25.3 dyne/cm; (18)Density: 0.879 g/cm3; (19)Flash Point: 32.2 °C; (20)Enthalpy of Vaporization: 37.83 kJ/mol; (21)Boiling Point: 157.9 °C at 760 mmHg; (22)Vapour Pressure: 3.49 mmHg at 25°C.
Uses of Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-, (1R,5R)-: It can be used to produce (1S,2S,3R)-2,3-epoxy-pinane. This reaction will need reagent perbenzoic acid and Na2CO3, and the menstruum benzene and CH2Cl2. The reaction temperature is -5~0°C, and the yield is about 85%.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and it irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer), and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C\1=C(\[C@H]2C[C@@H](C/1)C2(C)C)C
(2)InChI: InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
(3)InChIKey: GRWFGVWFFZKLTI-RKDXNWHRBM