4,4 Dipropylcyclohexane 1,1-diacetic acid

Base Information

• Chemical Name: 4,4 Dipropylcyclohexane 1,1-diacetic acid
• CAS No.: 123018-68-8
• Molecular Formula: C₁₆H₂₈O₄
• Molecular Weight: 284.396
• DSSTox Substance ID: DTXSID201271975
• Mol file: 123018-68-8.mol

Synonyms:4,4 DIPROPYLCYCLOHEXANE 1,1-DIACETIC ACID;SCHEMBL9356244;UFPDGKLHBBOSLP-UHFFFAOYSA-N;DTXSID201271975;123018-68-8;4,4-Dipropyl-1,1-cyclohexanediacetic acid;4,4-Dipropylcyclohexane-1,1 diacetic acid

Chemical Property of 4,4 Dipropylcyclohexane 1,1-diacetic acid

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 284.19875937
• Heavy Atom Count: 20
• Complexity: 314

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1(CCC(CC1)(CC(=O)O)CC(=O)O)CCC

Technology Process of 4,4 Dipropylcyclohexane 1,1-diacetic acid

There total 3 articles about 4,4 Dipropylcyclohexane 1,1-diacetic 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:

4,4-dipropylcyclohex-2-en-1-one (60729-41-1) → (1-Carboxymethyl-4,4-dipropyl-cyclohexyl)-acetic acid (123018-68-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / H₂ / 10percent Pd/C / ethyl acetate / 5 h / 2585.7 Torr / Ambient temperature

2: NH₃ / ethanol

3: acetic acid, HCl, H₂O / 3.5 h / Heating

With hydrogenchloride; ammonia; water; hydrogen; acetic acid; palladium on activated charcoal; In ethanol; ethyl acetate;

DOI:10.1021/jm00173a010

Reference yield:

4,4-di-n-propylcyclohexanone (123018-62-2) → (1-Carboxymethyl-4,4-dipropyl-cyclohexyl)-acetic acid (123018-68-8)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₃ / ethanol

2: acetic acid, HCl, H₂O / 3.5 h / Heating

With hydrogenchloride; ammonia; water; acetic acid; In ethanol;

DOI:10.1021/jm00173a010

Reference yield:

2,4-Dioxo-9,9-dipropyl-3-aza-spiro[5.5]undecane-1,5-dicarbonitrile (123018-67-7) → (1-Carboxymethyl-4,4-dipropyl-cyclohexyl)-acetic acid (123018-68-8)

Guidance literature:

With hydrogenchloride; water; acetic acid; for 3.5h; Heating;

DOI:10.1021/jm00173a010

upstream raw materials:

2,4-Dioxo-9,9-dipropyl-3-aza-spiro[5.5]undecane-1,5-dicarbonitrile

4,4-dipropylcyclohex-2-en-1-one

4,4-di-n-propylcyclohexanone