3-Chloroadamantane-1-carboxylic acid

Base Information

• Chemical Name: 3-Chloroadamantane-1-carboxylic acid
• CAS No.: 34859-74-0
• Molecular Formula: C11H15ClO2
• Molecular Weight: 214.692
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID90956345
• Mol file: 34859-74-0.mol

Synonyms:3-chloroadamantane-1-carboxylic acid;34859-74-0;1-Chloro-3-adamantanecarboxylic acid;BRN 2103172;3-ADAMANTANECARBOXYLIC ACID, 1-CHLORO-;3-chlorotricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid;CDS1_000882;Maybridge1_005634;DivK1c_001922;SCHEMBL301574;HMS557I02;DTXSID90956345;BBL033702;CCG-45625;STL146410;AKOS001046209;AKOS015955353;AKOS016844277;AS-9307;NCGC00341425-01;(5S,7R)-3-chloroadamantane-1-carboxylate;FT-0615448;EN300-00092;AB01332136-02;A822443;SR-01000635379-1;Z56823505;Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-chloro-;N-({4-[3-(4-methoxyphenyl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)-N-phenylcyclopropanecarboxamide

Chemical Property of 3-Chloroadamantane-1-carboxylic acid

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 1.29E-05mmHg at 25°C
• Melting Point: 136 °C
• Boiling Point: 343.2 °C at 760 mmHg
• Flash Point: 161.4 °C
• PSA: 37.30000
• Density: 1.32 g/cm³
• LogP: 2.64880
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 214.0760574
• Heavy Atom Count: 14
• Complexity: 286

Purity/Quality:

97% ^*data from raw suppliers

3-Chloroadamantane-1-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)O

Technology Process of 3-Chloroadamantane-1-carboxylic acid

There total 5 articles about 3-Chloroadamantane-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: 85.0%

1-Adamantanecarboxylic acid (828-51-3) → 3-chloroadamantane-1-carboxylic acid (34859-74-0)

Guidance literature:

With tetrachloromethane; manganese(III) acetylacetonate; acetonitrile; at 200 ℃; for 1h;

Reference yield: 75.6%

3-acetamidotricyclo[3.3.1.13,7]decane-1-carboxylic acid (6240-00-2) → 3-chloroadamantane-1-carboxylic acid (34859-74-0) + 3-aminotricyclo[3.3.1.13,7]decane-1-carboxylic acid hydrochloride (6240-01-3)

Guidance literature:

With hydrogenchloride; In water; for 15h; Heating;

Reference yield: 57.0%

3-nitroxyadamantane-1-carboxylic acid (50795-82-9) → 3-chloroadamantane-1-carboxylic acid (34859-74-0)

Guidance literature:

With sulfuric acid; phosphorus trichloride; at 20 - 50 ℃; for 2h;

upstream raw materials:

3-hydroxyadamantane-1-carboxylic acid

1-Adamantanecarboxylic acid

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

3-nitroxyadamantane-1-carboxylic acid

Downstream raw materials:

1-Adamantyl bromide

1-chloroadamantane

adamantane