ChemicalBook--->CAS DataBase List--->10303-95-4

10303-95-4

10303-95-4 Structure

10303-95-4 Structure
IdentificationMore
[Name]

1,3-Adamantanediamine
[CAS]

10303-95-4
[Synonyms]

1,3-Diaminoadamantane
1,3-Adamantanediamine
Tricyclo[3.3.1.13,7]decane-1,3-diamine
4. 1,3-diaminoadamantane
[Molecular Formula]

C10H18N2
[MDL Number]

MFCD01831403
[Molecular Weight]

166.26
[MOL File]

10303-95-4.mol
Chemical PropertiesBack Directory
[Boiling point ]

249 °C
[density ]

1.153
[Fp ]

122 °C
[form ]

powder to crystal
[pka]

10.73±0.40(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C10H18N2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6,11-12H2
[InChIKey]

FOLJMFFBEKONJP-UHFFFAOYSA-N
[SMILES]

C12(N)CC3CC(CC(N)(C3)C1)C2
[CAS DataBase Reference]

10303-95-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
[HS Code ]

2921.30.5000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,3-Adamantanedicarboxylic acid-->1,3-Adamantanedicarbonyl chloride-->Thionyl chloride
Hazard InformationBack Directory
[Uses]

1,3-Adamantanediamine is used in preparation method of SSZ-13 molecular sieve from β molecular sieve.
[Preparation]

1,3-Adamantanediamine synthesis: 1,3-Adamantane dicarboxylic acid (12 g) was mixed with 50 mL of SOCl2 and the mixture was refluxed for 3 h. Excessive SOCl2 was evaporated and 1,3-adamantane dicarbonyl dichloride was obtained as white solid, dissolved in dried benzene and added to cold ammonia solution slowly, during which a white precipitate was formed gradually filtered and then washed the precipitate several times with water to give 1,3-disaminoacyladamantane as white solid, recrystallized from ethanol. White solid, yield 10.58 g (89 %).
[Purification Methods]

Purify it by zone refining. The dibenzoyl derivative has m 248o, and the dihydrochloride salt has m 310o (360o) after recrystallisation from aqueous EtOH or EtOH/Et2O. [Prelog & Seiwerth Chem Ber 74 1769 1941, Stetter & Wulff Chem Ber 93 1366 1960.]
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-Adamantanediamine(10303-95-4)1HNMR
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