2-(2,2-Dimethyloxan-4-yl)acetic acid

Base Information

• Chemical Name: 2-(2,2-Dimethyloxan-4-yl)acetic acid
• CAS No.: 14390-07-9
• Molecular Formula: C₉H₁₆O₃
• Molecular Weight: 172.224
• European Community (EC) Number: 863-492-3
• Mol file: 14390-07-9.mol

Synonyms:2-(2,2-dimethyloxan-4-yl)acetic acid;14390-07-9;2-(2,2-dimethyltetrahydro-2h-pyran-4-yl)acetic acid;2,2-dimethyl-4-tetrahydropyranylacetic acid;SCHEMBL2013137;ZB0518;AKOS013417486;EN300-135011;2-(2,2-dimethyltetrahydro-2h-pyran-4-yl)aceticacid;Z1192343588

Chemical Property of 2-(2,2-Dimethyloxan-4-yl)acetic acid

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

2-(2,2-dimethyloxan-4-yl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC(CCO1)CC(=O)O)C

Technology Process of 2-(2,2-Dimethyloxan-4-yl)acetic acid

There total 4 articles about 2-(2,2-Dimethyloxan-4-yl)acetic 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: 92.5%

2,2-Dimethyl-4-ethoxycarbonylmethyltetrahydropyran (77555-41-0) → 2,2-Dimethyl-4-tetrahydropyranylacetic acid (14390-07-9)

Guidance literature:

With sodium hydroxide; at 30 - 35 ℃; for 1h;

DOI:10.1007/BF00760452

Reference yield:

methyl 2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate (306325-99-5) → 2,2-Dimethyl-4-tetrahydropyranylacetic acid (14390-07-9)

Guidance literature:

methyl 2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate; With lithium hydroxide; water; In tetrahydrofuran; methanol; for 3h;

With hydrogenchloride; In tetrahydrofuran; methanol; water; pH=5;

Reference yield:

(2,2-dimethyltetrahydropyran-4-yl)-2,3-epoxypropionic acid (74975-03-4) → 1-(2,2-dimethyltetrahydropyran-4-yl)-1-ethanone (70986-52-6) + 2,2-Dimethyl-4-tetrahydropyranylacetic acid (14390-07-9)

Guidance literature:

With potassium permanganate; Yield given. Multistep reaction; 1.) 220-270 deg C; 2.) overnight;;

upstream raw materials:

2,2-Dimethyl-4-ethoxycarbonylmethyltetrahydropyran

(2,2-dimethyltetrahydropyran-4-yl)-2,3-epoxypropionic acid

methyl 2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate