5-Adamantan-1-yl-[1,3,4]thiadiazol-2-ylamine

Base Information

• Chemical Name: 5-Adamantan-1-yl-[1,3,4]thiadiazol-2-ylamine
• CAS No.: 26526-57-8
• Molecular Formula: C12H17 N3 S
• Molecular Weight: 235.353
• Hs Code.: 2934999090
• European Community (EC) Number: 870-547-5
• DSSTox Substance ID: DTXSID50351610
• Wikidata: Q82128153
• Mol file: 26526-57-8.mol

Synonyms:26526-57-8;5-Adamantan-1-yl-[1,3,4]thiadiazol-2-ylamine;5-(1-adamantyl)-1,3,4-thiadiazol-2-amine;5-(adamantan-1-yl)-1,3,4-thiadiazol-2-amine;2-(1-adamantyl)-5-amino-1,3,4-thiadiazole;1,3,4-Thiadiazol-2-amine, 5-tricyclo[3.3.1.13,7]dec-1-yl-;Cambridge id 5681869;Oprea1_576049;Oprea1_863610;SCHEMBL3903394;DTXSID50351610;FBIPRWDBYYCKHA-UHFFFAOYSA-N;HMS1612B21;BBA52657;5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3,4-thiadiazol-2-amine;MFCD01826851;STK052318;AKOS000271123;5-adamantyl-2-amino-1,3,4-thiadiazole;BB 0219928;CS-0219064;EN300-02972;AB00093320-01;AK-245/10488011;SR-01000418368;SR-01000418368-1;Z56813575;5-(Tricyclo[3.3.1.1>3,7>]dec-1-yl)-1,3,4-thiadiazol-2-amine

Chemical Property of 5-Adamantan-1-yl-[1,3,4]thiadiazol-2-ylamine

Chemical Property:

• Vapor Pressure: 1.25E-06mmHg at 25°C
• Boiling Point: 400.7°Cat760mmHg
• Flash Point: 196.1°C
• PSA: 80.04000
• Density: 1.332g/cm³
• LogP: 3.16930
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 235.11431873
• Heavy Atom Count: 16
• Complexity: 265

Purity/Quality:

97% ^*data from raw suppliers

5-Adamantan-1-yl-[1,3,4]thiadiazol-2-ylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)N

Technology Process of 5-Adamantan-1-yl-[1,3,4]thiadiazol-2-ylamine

There total 6 articles about 5-Adamantan-1-yl-[1,3,4]thiadiazol-2-ylamine 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: 87.0%

2-(adamantane-1-carbonyl)hydrazine-1-carbothioamide (40536-84-3) → [(5-adamantan-1-yl)-2-amino-2-yl]-1,3,4-thiadiazole (26526-57-8)

Guidance literature:

With sulfuric acid; at 5 - 25 ℃;

DOI:10.1016/j.bmc.2018.08.004

Reference yield: 59.0%

1-Adamantanecarboxylic acid (828-51-3) + thiosemicarbazide (79-19-6) → [(5-adamantan-1-yl)-2-amino-2-yl]-1,3,4-thiadiazole (26526-57-8)

Guidance literature:

1-Adamantanecarboxylic acid; With trichlorophosphate; at 20 ℃; for 0.333333h;

thiosemicarbazide; In water; Reflux;

With potassium hydroxide; In water; Cooling;

DOI:10.1016/j.ejmech.2010.08.007

Reference yield: 48.0%

1-(1-adamantylcarbonyl)-4-benzylthiosemicarbazide (139158-45-5) → [(5-adamantan-1-yl)-2-amino-2-yl]-1,3,4-thiadiazole (26526-57-8)

Guidance literature:

With sulfuric acid; for 24h; Ambient temperature;

DOI:10.1007/BF00811852

upstream raw materials:

2-(adamantane-1-carbonyl)hydrazine-1-carbothioamide

1-(1-adamantylcarbonyl)-4-benzylthiosemicarbazide

adamantane-1-carbohydrazide

1-Adamantanecarboxylic acid

Downstream raw materials:

C₁₉H₂₂N₄S₂

C₁₉H₂₁ClN₄S₂

C₁₉H₂₁FN₄S₂

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