3-Acetylamino-adamantane-1-carboxylic acid

Base Information

• Chemical Name: 3-Acetylamino-adamantane-1-carboxylic acid
• CAS No.: 6240-00-2
• Molecular Formula: C13H19 N O3
• Molecular Weight: 237.299
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60377846
• Mol file: 6240-00-2.mol

Synonyms:6240-00-2;3-Acetylamino-adamantane-1-carboxylic acid;3-acetamidoadamantane-1-carboxylic acid;3-(acetylamino)adamantane-1-carboxylic acid;3-(acetylamino)-1-adamantanecarboxylic acid;n-Hexylmethylsulfide;3-Acetamidoadamantane-1-carboxylicacid;Oprea1_395623;SCHEMBL965747;DTXSID60377846;3-(acetylamino)tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid;STK663759;AKOS000122426;AKOS016142916;LS-03474;3-Acetylamino-adamantane-1-carboxylic acid;BB 0217073;Adamantane-1-carboxylic acid, 3-acetylamino-;EN300-06585;Z56757159;F0035-0012

Chemical Property of 3-Acetylamino-adamantane-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 6.38E-10mmHg at 25°C
• Melting Point: 257-258℃
• Boiling Point: 464.7°C at 760 mmHg
• Flash Point: 234.8°C
• PSA: 66.40000
• Density: 1.26±0.1 g/cm3 (20 ºC 760 Torr)
• LogP: 1.93700
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 237.13649347
• Heavy Atom Count: 17
• Complexity: 376

Purity/Quality:

98%Min ^*data from raw suppliers

3-Acetylamino-adamantane-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)O

Technology Process of 3-Acetylamino-adamantane-1-carboxylic acid

There total 3 articles about 3-Acetylamino-adamantane-1-carboxylic acid 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%

→ 3-amino-1-adamantanecarboxylic acid (6240-10-4) + 3-acetamidotricyclo[3.3.1.13,7]decane-1-carboxylic acid (6240-00-2)

Guidance literature:

Reference yield:

1-Adamantanecarboxylic acid (828-51-3) → N-(1-adamantyl)acetamide (880-52-4) + 3-nitroxyadamantane-1-carboxylic acid (50795-82-9) + 3-acetamidotricyclo[3.3.1.13,7]decane-1-carboxylic acid (6240-00-2)

Guidance literature:

With ammonium cerium(IV) nitrate; In acetonitrile; for 3h; Irradiation;

DOI:10.1021/jo951645y

Reference yield:

1-Adamantanecarboxylic acid (828-51-3) + acetonitrile (75-05-8,26809-02-9) → N-(1-adamantyl)acetamide (880-52-4) + 3-nitroxyadamantane-1-carboxylic acid (50795-82-9) + 3-acetamidotricyclo[3.3.1.13,7]decane-1-carboxylic acid (6240-00-2)

Guidance literature:

With ammonium cerium(IV) nitrate; In acetonitrile; for 3h; Mechanism; Rate constant; Irradiation; other substituted adamantanes, quenching rate constant for nitrate radical;

DOI:10.1021/jo951645y

upstream raw materials:

1-Adamantanecarboxylic acid

acetonitrile

Downstream raw materials:

3-chloroadamantane-1-carboxylic acid

3-aminotricyclo[3.3.1.1^3,7]decane-1-carboxylic acid hydrochloride

3-(acetylamino)-N-(4-{[(2-aminophenyl)amino]carbonyl}benzyl)adamantane-1-carboxamide

3-amino-1-adamantanecarboxylic acid

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