Methyl 3-bromo-5-methyltricyclo(3.3.1.13,7)decane-1-carboxylate

Base Information

• Chemical Name: Methyl 3-bromo-5-methyltricyclo(3.3.1.13,7)decane-1-carboxylate
• CAS No.: 14575-01-0
• Molecular Formula: C13H19BrO2
• Molecular Weight: 287.197
• European Community (EC) Number: 238-614-8
• DSSTox Substance ID: DTXSID50932685
• Mol file: 14575-01-0.mol

Synonyms:14575-01-0;Methyl 3-bromo-5-methyltricyclo(3.3.1.13,7)decane-1-carboxylate;EINECS 238-614-8;methyl 3-bromo-5-methyltricyclo[3.3.1.13,7]decane-1-carboxylate;methyl 3-bromo-5-methyladamantane-1-carboxylate;DTXSID50932685

Chemical Property of Methyl 3-bromo-5-methyltricyclo(3.3.1.13,7)decane-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.000463mmHg at 25°C
• Boiling Point: 301.8°Cat760mmHg
• Flash Point: 136.3°C
• Density: 1.467g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 286.05684
• Heavy Atom Count: 16
• Complexity: 356

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC3CC(C1)(CC(C3)(C2)Br)C(=O)OC

Technology Process of Methyl 3-bromo-5-methyltricyclo(3.3.1.13,7)decane-1-carboxylate

There total 2 articles about Methyl 3-bromo-5-methyltricyclo(3.3.1.13,7)decane-1-carboxylate 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-Methyladamantane-3-carboxylic acid (33649-73-9) → methyl 3-bromo-1-adamantaneacetate (14575-01-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂, AlBr₃

2: aq. H₂SO₄

With aluminum tri-bromide; sulfuric acid; bromine;

Reference yield:

methanol (67-56-1) + 5-methyl-3-bromoadamantane-1-carboxylic acid (14670-95-2,26768-52-5) → methyl 3-bromo-1-adamantaneacetate (14575-01-0)

Guidance literature:

With sulfuric acid;

upstream raw materials:

methanol

5-methyl-3-bromoadamantane-1-carboxylic acid

1-Methyladamantane-3-carboxylic acid