Alpha-Chloro-3,5,7-Trimethyl-1-Adamantaneacetic Acid

Base Information

• Chemical Name: Alpha-Chloro-3,5,7-Trimethyl-1-Adamantaneacetic Acid
• CAS No.: 16668-45-4
• Molecular Formula: C₁₅H₂₃ClO₂
• Molecular Weight: 270.799
• Hs Code.: 2916209090
• European Community (EC) Number: 654-119-3
• NSC Number: 119925
• DSSTox Substance ID: DTXSID50297983
• Mol file: 16668-45-4.mol

Synonyms:16668-45-4;Alpha-Chloro-3,5,7-Trimethyl-1-Adamantaneacetic Acid;2-chloro-2-(3,5,7-trimethyl-1-adamantyl)acetic acid;chlor(3,5,7-trimethyladamantan-1-yl)essigs;NSC119925;DTXSID50297983;AKOS022181700;NSC-119925;2-Chloro-2-(3,5,7-trimethyladamantan-1-yl)acetic acid;ALPHA-CHLORO-3,5,7-TRIMETHYL-1-ADAMANTANEACETICACID

Chemical Property of Alpha-Chloro-3,5,7-Trimethyl-1-Adamantaneacetic Acid

Chemical Property:

• Vapor Pressure: 5.53E-06mmHg at 25°C
• Boiling Point: 354.6°Cat760mmHg
• Flash Point: 168.3°C
• PSA: 37.30000
• Density: 1.23g/cm³
• LogP: 4.06510
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 270.1386577
• Heavy Atom Count: 18
• Complexity: 357

Purity/Quality:

98%min ^*data from raw suppliers

ALPHA-CHLORO-3,5,7-TRIMETHYL-1-ADAMANTANEACETIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC3(CC(C1)(CC(C2)(C3)C(C(=O)O)Cl)C)C

Technology Process of Alpha-Chloro-3,5,7-Trimethyl-1-Adamantaneacetic Acid

There total 1 articles about Alpha-Chloro-3,5,7-Trimethyl-1-Adamantaneacetic 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:

→ α-chloro-3,5,7-trimethyl-tricyclo[3.3.1.13,7]decane-1-acetic acid (16668-45-4)

Guidance literature:

1-Brom-3.5.7-trimethyl-adamantan, Trichlortaethylen, wss. Schwefelsaeure, Δ;

Reference yield:

α-chloro-3,5,7-trimethyl-tricyclo[3.3.1.13,7]decane-1-acetic acid (16668-45-4) → Chloro-(3,5,7-trimethyl-adamantan-1-yl)-acetic acid benzyl ester (40193-27-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: Py

With pyridine; thionyl chloride;

DOI:10.1021/ja00782a030

Reference yield:

α-chloro-3,5,7-trimethyl-tricyclo[3.3.1.13,7]decane-1-acetic acid (16668-45-4) → 2-Chloro-1-(4-methoxy-phenyl)-2-(3,5,7-trimethyl-adamantan-1-yl)-ethanone (40193-28-0)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: Py

With pyridine; thionyl chloride;

DOI:10.1021/ja00782a030

Downstream raw materials:

N-Cyclohexyl-<3,5,7-trimethyl-adamantyl-(1)>-chloressigsaeure-amid

N-tert.-Butyl<3,5,7-trimethyladamantyl-(1)>-chloressigsaeureamid

Chloro-(3,5,7-trimethyl-adamantan-1-yl)-acetic acid benzyl ester

2-Chloro-1-(4-methoxy-phenyl)-2-(3,5,7-trimethyl-adamantan-1-yl)-ethanone

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