5,5,5-Trichloropentanoic acid

Base Information

• Chemical Name: 5,5,5-Trichloropentanoic acid
• CAS No.: 4236-43-5
• Molecular Formula: C5H7Cl3O2
• Molecular Weight: 205.468
• DSSTox Substance ID: DTXSID401023481
• Nikkaji Number: J125.400F
• Mol file: 4236-43-5.mol

Synonyms:5,5,5-trichloropentanoic acid;4236-43-5;SCHEMBL8352290;DTXSID401023481;AKOS005445054

Chemical Property of 5,5,5-Trichloropentanoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.61150
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.951163
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)O)CC(Cl)(Cl)Cl

Technology Process of 5,5,5-Trichloropentanoic acid

There total 6 articles about 5,5,5-Trichloropentanoic 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:

5.5.5-Trichlorpentanonitril (32767-82-1) → 5,5,5-trichloro-pentanoic acid (4236-43-5)

Guidance literature:

With hydrogenchloride; acetic acid;

DOI:10.1021/ja00814a033

Reference yield:

1,1,1,5-tetrachloropentane (2467-10-9) → 5,5,5-trichloro-pentanoic acid (4236-43-5)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid; potassium iodide

2: aqueous methanol.hydrochloric acid

3: chromium-(VI)-oxide; acetic acid / Nebenprod_.2:5,5,5-Trichlor-valeriansaeure-<5,5,5-trichlor-pentylester>

With chromium(VI) oxide; hydrogenchloride; acetic acid; potassium iodide;

DOI:10.1051/metal:2002192

Reference yield:

acetic acid-(5,5,5-trichloro-pentyl ester) (17740-13-5) → 5,5,5-trichloro-pentanoic acid (4236-43-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous methanol.hydrochloric acid

2: chromium-(VI)-oxide; acetic acid / Nebenprod_.2:5,5,5-Trichlor-valeriansaeure-<5,5,5-trichlor-pentylester>

With chromium(VI) oxide; hydrogenchloride; acetic acid;

DOI:10.1051/metal:2002192

upstream raw materials:

5,5,5-trichloropentan-1-ol

5.5.5-Trichlorpentanonitril

1,1,1,5-tetrachloropentane

acetic acid-(5,5,5-trichloro-pentyl ester)

Downstream raw materials:

5-chloro-valeric acid