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CAS No.: | 29713-15-3 |
---|---|
Name: | 1,3-Adamantanedicarbonyl chloride |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C12H14Cl2O2 |
Molecular Weight: | 261.148 |
Synonyms: | 1,3-Adamantanedicarbonylchloride (8CI);1,3-Adamantanedicarbonyl dichloride; |
Density: | 1.441 g/cm3 |
Melting Point: | 89-90 °C |
Boiling Point: | 318 °C at 760 mmHg |
Flash Point: | 161 °C |
PSA: | 34.14000 |
LogP: | 3.10380 |
adamantane-1,3-dicarboxylic acid
1,3-adamantanedicarbonyl chloride
Conditions | Yield |
---|---|
With thionyl chloride | 99% |
With thionyl chloride at 20 - 95℃; for 6h; | 93% |
With thionyl chloride Heating; |
1,3-adamantanedicarbonyl chloride
Conditions | Yield |
---|---|
With thionyl chloride |
1-Adamantanecarboxylic acid
1,3-adamantanedicarbonyl chloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 6 h / 0 °C 2: thionyl chloride / 3 h / Reflux View Scheme |
L-glutamic acid dimethyl ester
1,3-adamantanedicarbonyl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane | 99% |
L-Aspartic acid dimethyl ester
1,3-adamantanedicarbonyl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane | 98% |
2-aminopyridine
1,3-adamantanedicarbonyl chloride
1,3-bis[(pyrid-2-ylamino)carbonyl]adamantane
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 24h; Acylation; | 95% |
1,3-adamantanedicarbonyl chloride
N-(benzyloxycarbonyl)-L-tyrosine methyl ester
Conditions | Yield |
---|---|
With dmap In dichloromethane; acetonitrile at 20℃; for 12h; Substitution; | 95% |
1,3-adamantanedicarbonyl chloride
1,3-adamantane dicarbonamide
Conditions | Yield |
---|---|
With ammonium hydroxide for 3h; Heating; | 94% |
With ammonium hydroxide In benzene | |
With ammonia In benzene | 10.58 g |
1,3-adamantanedicarbonyl chloride
Conditions | Yield |
---|---|
With sodium azide In water; acetone at 0 - 12℃; for 0.666667h; | 93% |
With sodium azide In water; 1,2-dichloro-ethane cooling; |
1,3-adamantanedicarbonyl chloride
Conditions | Yield |
---|---|
With dmap In dichloromethane; acetonitrile at 20℃; for 12h; Substitution; | 88% |
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The cas register number of 1,3-Adamantanedicarbonyl dichloride is 29713-15-3. It also can be called as Tricyclo[3.3.1.13,7]decane-1,3-dicarbonyl dichloride and the Systematic name about this chemical is tricyclo[3.3.1.13,7]decane-1,3-dicarbonyl dichloride.
Physical properties about 1,3-Adamantanedicarbonyl dichloride are: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 2.76; (3)ACD/LogD (pH 7.4): 2.76; (4)ACD/BCF (pH 5.5): 73.25; (5)ACD/BCF (pH 7.4): 73.25; (6)ACD/KOC (pH 5.5): 752.39; (7)ACD/KOC (pH 7.4): 752.39; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 34.14Å2; (11)Index of Refraction: 1.586; (12)Molar Refractivity: 60.86 cm3; (13)Molar Volume: 181.2 cm3; (14)Polarizability: 24.12x10-24cm3; (15)Surface Tension: 57.4 dyne/cm; (16)Enthalpy of Vaporization: 55.94 kJ/mol; (17)Boiling Point: 318 °C at 760 mmHg; (18)Vapour Pressure: 0.000372 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)C13CC2CC(C(Cl)=O)(CC(C1)C2)C3
(2)InChI: InChI=1/C12H14Cl2O2/c13-9(15)11-2-7-1-8(4-11)5-12(3-7,6-11)10(14)16/h7-8H,1-6H2
(3)InChIKey: LKRUZYNPJUZODM-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H14Cl2O2/c13-9(15)11-2-7-1-8(4-11)5-12(3-7,6-11)10(14)16/h7-8H,1-6H2
(5)Std. InChIKey: LKRUZYNPJUZODM-UHFFFAOYSA-N