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| CAS No.: | 119-52-8 |
|---|---|
| Name: | ANISOIN |
| Molecular Structure: | |
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| Formula: | C16H16O4 |
| Molecular Weight: | 272.301 |
| Synonyms: | p-Anisoin(7CI,8CI);(?à)-p-Anisoin;1-Oxo-1,2-bis(p-methoxyphenyl)-2-hydroxyethane;2-Hydroxy-1,2-bis(4-methoxyphenyl)ethanone;4,4'-Dimethoxybenzoin;NSC 7960;NSC 8504;p,p'-Dimethoxybenzoin; |
| EINECS: | 204-330-8 |
| Density: | 1.195 g/cm3 |
| Melting Point: | 108-111 °C(lit.) |
| Boiling Point: | 459.373 °C at 760 mmHg |
| Flash Point: | 170.967 °C |
| Solubility: | Soluble in water, ethanol and acetone. |
| Appearance: | pale yellow to beige powder |
| Safety: | 22-24/25 |
| PSA: | 55.76000 |
| LogP: | 2.62010 |
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- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- 28698-07-9
1,2-bis-(4-methoxyphenyl)-2-[(trimethylsilyl)oxy]ethanone
- 119-52-8
4,4'-dimethoxybenzoin
| Conditions | Yield |
|---|---|
| With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0833333h; Green chemistry; | 98% |
| With hydrogenchloride In tetrahydrofuran; water at 20℃; | 9.27 g |
| Conditions | Yield |
|---|---|
| With 1,3-dimethylbenzimidazolium Iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene In 1,4-dioxane for 1.5h; Heating; | 95% |
| With N-(2-(3-mesityl-2,3-dihydro-1H-imidazol-1-yl)ethyl)-2-methylpropan-2-amine In tetrahydrofuran at 20℃; for 8h; Inert atmosphere; | 94% |
| With sodium cyanide; cocamidopropyl betaine In ethanol; water at 55 - 65℃; for 0.666667h; Benzoin Condensation; | 91% |
| Conditions | Yield |
|---|---|
| With ammonium chloride; zinc In tetrahydrofuran at 20℃; for 1h; | 94% |
| With water; zinc trifluoromethanesulfonate; zinc In 1,4-dioxane at 90℃; for 4h; Inert atmosphere; Schlenk technique; Green chemistry; | 92% |
| With titanium(IV) iodide In acetonitrile at 0 - 20℃; for 5.3h; Reduction; | 88% |
- 4464-76-0, 39090-28-3, 39090-30-7, 42565-21-9, 66768-20-5, 122798-27-0
1,2-bis(4-methoxyphenyl)-1,2-ethanediol
- 119-52-8
4,4'-dimethoxybenzoin
| Conditions | Yield |
|---|---|
| With 1-butyl-3-methylimidazolium hydrogen sulfate; sodium bromate In water at 20℃; for 1.5h; Green chemistry; | 80% |
| With magnesium sulfate; methyltrioxorhenium(VII) In acetonitrile for 2h; Heating; |
- 90-96-0
bis(p-methoxyphenyl)methanone
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
A
- 119-52-8
4,4'-dimethoxybenzoin
B
- 1226-42-2
1,2-bis(4-methoxyphenyl)-1,2-ethanedione
| Conditions | Yield |
|---|---|
| With samarium; iodine at 50℃; for 1h; | A 78% B 16% |
| With samarium; chloro-trimethyl-silane at 80℃; for 4h; Product distribution; Further Variations:; Reagents; Temperatures; time; | A 53% B 35% |
| With samarium diiodide at 20℃; for 0.166667h; | A 48% B 36% |
- 123-11-5
4-methoxy-benzaldehyde
A
- 119-52-8
4,4'-dimethoxybenzoin
B
- 1226-42-2
1,2-bis(4-methoxyphenyl)-1,2-ethanedione
| Conditions | Yield |
|---|---|
| With samarium; potassium iodide; copper(l) chloride In tetrahydrofuran at 20℃; for 3h; Inert atmosphere; | A 78% B 15% |
| With 1,8-diazabicyclo[5.4.0]undec-7-ene In dimethyl sulfoxide at 25℃; for 40h; Inert atmosphere; | A 52% B 9% |
- 1226-42-2
1,2-bis(4-methoxyphenyl)-1,2-ethanedione
A
- 119-52-8
4,4'-dimethoxybenzoin
B
- 26692-68-2
2,3-Dihydroxy-1,2-bis-(4-methoxy-phenyl)-propan-1-one
| Conditions | Yield |
|---|---|
| With rongalite In water; N,N-dimethyl-formamide at 100℃; for 1.5h; | A 68% B n/a |
- 123-11-5
4-methoxy-benzaldehyde
- 292638-85-8
acrylic acid methyl ester
A
- 5447-74-5
methyl 3-(4-methoxybenzoyl)propionate
B
- 119-52-8
4,4'-dimethoxybenzoin
| Conditions | Yield |
|---|---|
| With triethylamine; 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride In various solvent(s) at 80℃; for 14h; Stetter reaction; | A 68% B n/a |
- 4464-76-0, 39090-28-3, 39090-30-7, 42565-21-9, 66768-20-5, 122798-27-0
1,2-bis(4-methoxyphenyl)-1,2-ethanediol
A
- 119-52-8
4,4'-dimethoxybenzoin
B
- 1226-42-2
1,2-bis(4-methoxyphenyl)-1,2-ethanedione
| Conditions | Yield |
|---|---|
| With hydrogenchloride; dichloro(4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane)manganese(II); dihydrogen peroxide In water; acetonitrile at 29.84℃; for 6h; pH=3; Inert atmosphere; | A 68% B 29% |
- 123-11-5
4-methoxy-benzaldehyde
A
- 119-52-8
4,4'-dimethoxybenzoin
B
- 1226-42-2
1,2-bis(4-methoxyphenyl)-1,2-ethanedione
| Conditions | Yield |
|---|---|
| Stage #1: C12H15OPolS2 With n-butyllithium In tetrahydrofuran at -35℃; for 2h; solid phase reaction; Stage #2: 4-methoxy-benzaldehyde In tetrahydrofuran; Petroleum ether at -35℃; solid phase reaction; Stage #3: With N-Bromosuccinimide In tetrahydrofuran; water | A 49% B 20% |
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Specification
The Ethanone,2-hydroxy-1,2-bis(4-methoxyphenyl)-, with its CAS registry number 119-52-8, has the IUPAC name of 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone. And for being a kind of pale yellow to beige powder, it has the molecular formula of C16H16O4 and the molecular weight of 272.3. When you are using it, do not breathe dust and then avoid contacting with skin and eyes.
The characteristics of Ethanone,2-hydroxy-1,2-bis(4-methoxyphenyl)- are as follows: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.07; (6)ACD/BCF (pH 7.4): 24.07; (7)ACD/KOC (pH 5.5): 339.25; (8)ACD/KOC (pH 7.4): 339.24; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 75.66 cm3; (15)Molar Volume: 227.9 cm3; (16)Polarizability: 29.99×10-24cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.194 g/cm3; (19)Flash Point: 171 °C; (20)Enthalpy of Vaporization: 75.85 kJ/mol; (21)Boiling Point: 459.4 °C at 760 mmHg; (22)Vapour Pressure: 3.11E-09 mmHg at 25°C; (23)Exact Mass: 272.104859; (24)MonoIsotopic Mass: 272.104859; (25)Topological Polar Surface Area: 55.8; (26)Heavy Atom Count: 20; (27)Complexity: 302; (28)Undefined Atom StereoCenter Count: 1; (29)Covalently-Bonded Unit Count: 1; (30)Feature 3D Acceptor Count: 4; (31)Feature 3D Donor Count: 1; (32)Feature 3D Ring Count: 2.
Production method of this chemical: 4-Methoxy-benzaldehyde could react to produce ethanone,2-hydroxy-1,2-bis(4-methoxyphenyl)-, and it happens in the reagent of aq. KCN and the solvent of ethanol.
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Use of this chemical: Ethanone,2-hydroxy-1,2-bis(4-methoxyphenyl)- could react to produce a-bromo-4,4'-dimethoxy-deoxybenzoin, and this reaction could happen in the reagent of chloroform and PBr3.
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What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)O
(2)InChI: InChI=1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3
(3)InChIKey: LRRQSCPPOIUNGX-UHFFFAOYSA-N