Octahydro-1,6-methanonaphthalene-1(2H)-carbonyl chloride

Base Information

• Chemical Name: Octahydro-1,6-methanonaphthalene-1(2H)-carbonyl chloride
• CAS No.: 57386-97-7
• Molecular Formula: C₁₂H₁₇ClO
• Molecular Weight: 212.719
• ChEMBL ID: CHEMBL3276700
• DSSTox Substance ID: DTXSID60546095
• Mol file: 57386-97-7.mol

Synonyms:57386-97-7;CHEMBL3276700;DTXSID60546095;Octahydro-1,6-methanonaphthalene-1(2H)-carbonyl chloride

Chemical Property of Octahydro-1,6-methanonaphthalene-1(2H)-carbonyl chloride

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 212.0967929
• Heavy Atom Count: 14
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC3CCC2C(C1)(C3)C(=O)Cl

Technology Process of Octahydro-1,6-methanonaphthalene-1(2H)-carbonyl chloride

There total 3 articles about Octahydro-1,6-methanonaphthalene-1(2H)-carbonyl chloride 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:

4-Homoisotwistan-3-carbonsaeure → 3-chlorocarbonyltricyclo<5.3.1.03,8>undecane (57386-97-7)

Guidance literature:

With thionyl chloride;

DOI:10.1021/jm00226a018 DOI:10.1246/cl.1975.957

Reference yield:

Tricyclo<5.3.1.03,8>undecane (43000-53-9) → 3-chlorocarbonyltricyclo<5.3.1.03,8>undecane (57386-97-7)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄, tBuOH

2: SOCl₂

With thionyl chloride; sulfuric acid; tert-butyl alcohol;

DOI:10.1021/jm00226a018

Reference yield:

→ (1R,4aR,6R,8aR)-Octahydro-1,6-methano-naphthalene-1-carbonyl chloride (57386-97-7)

Guidance literature:

Entspr.Saeure, SOCl2;

upstream raw materials:

Tricyclo<5.3.1.0^3,8>undecane

Downstream raw materials:

α-cyano-m-phenoxybenzyl tricyclo<5.3.1.0^3,8>undecane-3-carboxylate