1,3-Dichloro-5,7-dimethyladamantane

Base Information

• Chemical Name: 1,3-Dichloro-5,7-dimethyladamantane
• CAS No.: 17768-33-1
• Molecular Formula: C₁₂H₁₈Cl₂
• Molecular Weight: 233.181
• NSC Number: 193478
• DSSTox Substance ID: DTXSID10307618
• Wikidata: Q82055082
• Mol file: 17768-33-1.mol

Synonyms:1,3-dichloro-5,7-dimethyladamantane;17768-33-1;NSC193478;DTXSID10307618;1,3-dimethyl-5,7-dichloroadamantane;NSC-193478;1,3-Dichloro-5,7-dimethyltricyclo[3.3.1.1~3,7~]decane

Chemical Property of 1,3-Dichloro-5,7-dimethyladamantane

Chemical Property:

• Vapor Pressure: 0.00667mmHg at 25°C
• Boiling Point: 279.8°C at 760 mmHg
• Flash Point: 107.9°C
• Density: 1.19g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 232.0785560
• Heavy Atom Count: 14
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Dichloro-5,7-dimethyladamantane

There total 3 articles about 1,3-Dichloro-5,7-dimethyladamantane 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:

1,3-dihydroxy-5,7-dimethyladamantane (10347-01-0) → 5,7-Dichlor-1,3-dimethyl-adamantan (17768-33-1) + 2,2'-(5,7-dimethyladamantylene-1,3)diethanoic acid (17837-78-4)

Guidance literature:

Multistep reaction; (i) Ac₂O, aq. HCl, (ii) 1,1-dichloro-ethene, H₂SO₄, BF₃;

Reference yield:

1,1-Dichloroethylene (75-35-4,9002-85-1) + 1,3-dihydroxy-5,7-dimethyladamantane (10347-01-0) → 5,7-Dichlor-1,3-dimethyl-adamantan (17768-33-1) + 2,2'-(5,7-dimethyladamantylene-1,3)diethanoic acid (17837-78-4)

Guidance literature:

Multistep reaction; (i) Ac₂O, aq. HCl, (ii) /BRN= 1733365/, H₂SO₄, BF₃;

Reference yield:

→ 5,7-Dichlor-1,3-dimethyl-adamantan (17768-33-1)

Guidance literature:

1.3-Dimethyladamantan, Chlorsulfonsaeure, 60 Std., 0grad;

upstream raw materials:

1,1-Dichloroethylene

1,3-dihydroxy-5,7-dimethyladamantane