Adamantane-1,3-diamine

Base Information

• Chemical Name: Adamantane-1,3-diamine
• CAS No.: 10303-95-4
• Molecular Formula: C10H18N2
• Molecular Weight: 166.266
• Hs Code.: 2921300090
• European Community (EC) Number: 835-523-0
• DSSTox Substance ID: DTXSID90276893
• Nikkaji Number: J511.428D
• Wikidata: Q72436552
• Mol file: 10303-95-4.mol

Synonyms:Adamantane-1,3-diamine;10303-95-4;1,3-Adamantanediamine;1,3-Diaminoadamantane;Tricyclo[3.3.1.13,7]decane-1,3-diamine;Oprea1_654074;SCHEMBL510762;SCHEMBL9914296;SCHEMBL12130587;SCHEMBL12132159;DTXSID90276893;MFCD01831403;STL406627;AKOS000365933;AKOS006280188;Tricyclo[3.3.1.1]decane-1,3-diamine;BS-43833;A3265;CS-0094364;FT-0658409;EN300-297432;T70028;tricyclo[3.3.1.1~3,7~]decane-1,3-diamine;A800667;AF-407/31881013;SR-01000400481;SR-01000400481-1

Chemical Property of Adamantane-1,3-diamine

Chemical Property:

• Vapor Pressure: 0.0241mmHg at 25°C
• Refractive Index: 1.597
• Boiling Point: 248.57 °C at 760 mmHg
• PKA: 10.73±0.40(Predicted)
• Flash Point: 121.959 °C
• PSA: 52.04000
• Density: 1.154 g/cm³
• LogP: 2.39580
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 166.146998583
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

1,3-Adamantanediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3(CC1CC(C2)(C3)N)N
• Uses: 1,3-Adamantanediamine is used in preparation method of SSZ-13 molecular sieve from β molecular sieve.

Technology Process of Adamantane-1,3-diamine

There total 13 articles about Adamantane-1,3-diamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

→ 1,3-dinitroadamantane (55100-59-9) + 1,3-diaminoadamantane (10303-95-4)

Guidance literature:

Reference yield: 94.0%

dibenzyl tricyclo[3.3.1.13,7]decane-1,3-diyldicarbamate → 1,3-diaminoadamantane (10303-95-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; for 18h; under 760.051 Torr;

Reference yield: 82.0%

1,3-adamantane-dicarbonamide (62472-39-3) → 1,3-diaminoadamantane (10303-95-4)

Guidance literature:

With sodium hypobromide; bromine; sodium hydroxide; In water; at 0 - 80 ℃; for 2h;

DOI:10.14233/ajchem.2013.14057

upstream raw materials:

N,N'-(adamantane-1,3-diyl)diacetamide

1,3-diazidoadamantane

adamantane

1,3-dibromoadamantane

Downstream raw materials:

1,3-dibromoadamantane

adamantane

1,3-dinitroadamantane

N,N'-adamantane-1,3-diyl-bis-benzamide

Refernces

• 1、 Kuga, Tetsuya,Sasano, Yusuke,Tomizawa, Masaki,Shibuya, Masatoshi,Iwabuchi, Yoshiharu. "Expedient Entry to 1-Aminoadamantane Derivatives via Aza-Prins Cyclization of 7-Methylenebicyclo[33.1]nonan-3-one Oximes". . p. 1820 - 1826. Retrieved 2018.
• 2、 -. "POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7)". Paragraph 00322. . Retrieved 2015/05/05.