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CAS No.: | 612-17-9 |
---|---|
Name: | 1,4-DIHYDRONAPHTHALENE |
Article Data: | 114 |
Molecular Structure: | |
Formula: | C10H10 |
Molecular Weight: | 130.189 |
Synonyms: | 1,4-Dihydronaphthalene;NSC 97894;D2-Dialin; |
EINECS: | 210-297-0 |
Density: | 1.004 g/cm3 |
Melting Point: | 25°C |
Boiling Point: | 211.5 °C at 760 mmHg |
Flash Point: | 70.7 °C |
Appearance: | Colorless to light yellow liquid |
Risk Codes: | 11 |
Safety: | 7/9-16-36 |
PSA: | 0.00000 |
LogP: | 2.34140 |
Conditions | Yield |
---|---|
With sodium In diethyl ether; tert-butyl alcohol Inert atmosphere; Reflux; | 97% |
With sodium; tert-butyl alcohol In tetrahydrofuran at 20℃; | 96.5% |
With ethanol; sodium In benzene Inert atmosphere; Reflux; | 96% |
9,9-dichloro-1,4-dihydro-4a,8a-methanonaphthalene
1,4-dihydronaphthalene
Conditions | Yield |
---|---|
In ethylene glycol at 120℃; for 0.0833333h; | 85% |
Conditions | Yield |
---|---|
With manganese(II) chloride dihydrate; lithium In tetrahydrofuran at 25℃; for 1h; Birch reaction; Inert atmosphere; regioselective reaction; | 83% |
Multi-step reaction with 3 steps 1: NaBH4,m-dicyanobenzene / acetonitrile; H2O / 7 h / Irradiation 2: 100 percent / silica gel 3: 59 percent / NaBH4,m-dicyanobenzene / acetonitrile; H2O / 16 h / Irradiation View Scheme |
Conditions | Yield |
---|---|
With tert-Amyl alcohol; ethylenediamine In tetrahydrofuran at 0 - 5℃; for 1h; Birch reduction; Inert atmosphere; | A 83% B n/a |
Conditions | Yield |
---|---|
With propylamine Irradiation; | A 80% B 20% |
With potassium amide In tetrahydrofuran; ammonia at -78℃; for 0.5h; Product distribution; var. alkali amides; | A 9 % Chromat. B 80 % Chromat. |
1,4-Dihydroxy-Δ2,6-hexalin
1,4-dihydronaphthalene
Conditions | Yield |
---|---|
With pyridine; trichlorophosphate for 72h; Ambient temperature; | 62% |
1,4-dihydronaphthalene
Conditions | Yield |
---|---|
With silver trifluoromethanesulfonate; N-ethyl-N,N-diisopropylamine In acetonitrile at 80℃; for 0.5h; | 60% |
Conditions | Yield |
---|---|
With manganese(II) chloride dihydrate; lithium In tetrahydrofuran at 25℃; for 1h; Birch reaction; Inert atmosphere; regioselective reaction; | 50% |
phenylium
buta-1,3-diene
A
naphthalene
B
1,2-Dihydronaphthalene
C
(E)-1-Phenyl-1,3-butadiene
D
1,4-dihydronaphthalene
E
3-Methylindene
Conditions | Yield |
---|---|
With oxygen; trimethylamine under 30 Torr; Mechanism; Product distribution; also with 3H-labelled compound, nuclear decay of a tritium atom, further pressures, additives; | A 9% B 3% C 3% D 4% E 4% |
Conditions | Yield |
---|---|
With ethanol; sodium |
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The Naphthalene,1,4-dihydro-, with CAS registry number 612-17-9, has the systematic name of 1,4-dihydronaphthalene. And its IUPAC name is the same one. Besides this, it is also called Delta2-dialin. And the chemical formula of this chemical is C10H10. What's more, its EINECS is 210-297-0.
Physical properties of Naphthalene,1,4-dihydro-: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 283.34; (6)ACD/BCF (pH 7.4): 283.34; (7)ACD/KOC (pH 5.5): 1981.36; (8)ACD/KOC (pH 7.4): 1981.36; (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: 1.572; (14)Molar Refractivity: 42.64 cm3; (15)Molar Volume: 129.5 cm3; (16)Polarizability: 16.9×10-24cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.004 g/cm3; (19)Flash Point: 70.7 °C; (20)Enthalpy of Vaporization: 42.95 kJ/mol; (21)Boiling Point: 211.5 °C at 760 mmHg; (22)Vapour Pressure: 0.264 mmHg at 25°C.
Preparation: this chemical can be prepared by naphthalene. This reaction will need reagent sodium and solvent ethanol.
Uses of Naphthalene,1,4-dihydro-: it can be used to produce (+-)-trans-3-bromo-1,2,3,4-tetrahydro-[2]naphthol. This reaction will need reagents H2O, N-bromo-succinimide.
When you are using this chemical, please be cautious about it as the following:
The Naphthalene,1,4-dihydro- is highly flammable, so keep it away from sources of ignition. And you should keep its container tightly closed and in a well-ventilated place. When use this chemical, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C/C=C\C2
(2)InChI: InChI=1/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-6H,7-8H2
(3)InChIKey: FUPIVZHYVSCYLX-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-6H,7-8H2
(5)Std. InChIKey: FUPIVZHYVSCYLX-UHFFFAOYSA-N