C8H4Cl6O2

Base Information

• Chemical Name: C8H4Cl6O2
• CAS No.: 2157-20-2
• Molecular Formula: C8H4 Cl6 O2
• Molecular Weight: 344.837
• NSC Number: 38319
• Nikkaji Number: J863.637K
• ChEMBL ID: CHEMBL2138090
• Mol file: 2157-20-2.mol

Synonyms:MLS002608091;2157-20-2;SCHEMBL5702705;CHEMBL2138090;HMS3078B20;NSC38319;NSC-38319;SMR001526842;1,2,3,4,7,7-hexachlorobicyclo(2,2,1)hept-2-ene-5-carboxylic acid

Chemical Property of C8H4Cl6O2

Chemical Property:

• Boiling Point: 387.8°Cat760mmHg
• Flash Point: 188.4°C
• Density: 1.89g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 343.831295
• Heavy Atom Count: 16
• Complexity: 419

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O

Technology Process of C8H4Cl6O2

There total 6 articles about C8H4Cl6O2 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:

acrylic acid (79-10-7) + hexachlorocyclopentadiene (77-47-4) → endo-1,4,5,6,7,7-hexachlorobicyclo<2.2.1>hept-5-ene-2-carboxylic acid (2157-20-2,30664-41-6,115520-70-2,115520-71-3,115565-70-3)

Guidance literature:

With acetic acid;

Reference yield:

hexachlorocyclopentadiene (77-47-4) → endo-1,4,5,6,7,7-hexachlorobicyclo<2.2.1>hept-5-ene-2-carboxylic acid (2157-20-2,30664-41-6,115520-70-2,115520-71-3,115565-70-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 180.5 g / 24 h / 90 - 95 °C

2: 67 g / 10percent aq. NaOH / methanol / Ambient temperature

With sodium hydroxide; In methanol;

Reference yield:

methyl 1,4,5,6,7,7-hexachloro-8,9,10-trinorborn-5-ene-2-carboxylate (84772-80-5) → endo-1,4,5,6,7,7-hexachlorobicyclo<2.2.1>hept-5-ene-2-carboxylic acid (2157-20-2,30664-41-6,115520-70-2,115520-71-3,115565-70-3)

Guidance literature:

With sodium hydroxide; In methanol; Ambient temperature;

upstream raw materials:

(+/-)-1,4,5,6,7,7-hexachloro-norborn-5-ene-2endo-carboxylic acid methyl ester

acrylic acid

hexachlorocyclopentadiene

methyl 1,4,5,6,7,7-hexachloro-8,9,10-trinorborn-5-ene-2-carboxylate

Downstream raw materials:

pantolactone

1,4,5,6,7,7-Hexachloro-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (4-butyl-phenyl)-amide

1,4,5,6,7,7-Hexachloro-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (4-methoxy-phenyl)-amide

(2,4-Dimethyl-phenyl)-(1,4,5,6,7,7-hexachloro-bicyclo[2.2.1]hept-5-en-2-yl)-methanone

Refernces

• 1、 Duke, Colin C.,Wells, Robert J.. "Investigation of Readily Available Chiral Compounds for Preparative Scale Resolutions". . p. 1641 - 1654. Retrieved 2007/10/02.