3,3-Dimethylpentanoic acid

Base Information

• Chemical Name: 3,3-Dimethylpentanoic acid
• CAS No.: 3177-74-0
• Molecular Formula: C7H14O2
• Molecular Weight: 130.18
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID30415229
• Nikkaji Number: J2.305.882K
• Wikidata: Q82224190
• Metabolomics Workbench ID: 156
• Mol file: 3177-74-0.mol

Synonyms:3,3-dimethylpentanoic acid;3177-74-0;beta,beta-dimethyl valeric acid;3,3-dimethyl-pentanoic acid;3-dimethylpentanoic acid;3,3-dimethylpentanoicacid;SCHEMBL276451;DTXSID30415229;CHEBI:179999;LMFA01020086;AKOS006278010;AS-76537;EN300-91994;D93429;Z1198160089

Chemical Property of 3,3-Dimethylpentanoic acid

Chemical Property:

• Melting Point: 53.5 °C
• Boiling Point: 213 °C(Press: 778 Torr)
• PKA: 4.81±0.10(Predicted)
• PSA: 37.30000
• Density: 0.9348 g/cm3(Temp: 25 °C)
• LogP: 1.89730
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

3,3-DIMETHYLPENTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)CC(=O)O

Technology Process of 3,3-Dimethylpentanoic acid

There total 18 articles about 3,3-Dimethylpentanoic 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: 75.0%

tert-Amyl alcohol (75-85-4) + 1,1-Dichloroethylene (75-35-4,9002-85-1) → 3,3-dimethylpentanoic acid (3177-74-0)

Guidance literature:

With sulfuric acid; at 11 ℃; for 1.5h;

DOI:10.1055/s-1985-31243

Reference yield: 74.8%

3,3-dimethyl-valeronitrile (41055-82-7) → 3,3-dimethylpentanoic acid (3177-74-0)

Guidance literature:

With potassium hydroxide; In ethylene glycol; for 8h; Heating / reflux;

Reference yield:

3,3-dimethylpentanoic acid methyl ester (101186-01-0) → 3,3-dimethylpentanoic acid (3177-74-0)

Guidance literature:

With sodium hydroxide; In methanol; water; at 60 ℃; for 16h; Schlenk technique;

DOI:10.1002/anie.202002362

upstream raw materials:

3,3-dimethyl-1-pentanol

4,4-dimethyl-hexan-2-one

(1,1-Dimethylpropyl)malonsaeure

3,3-dimethyl-glutaric acid monoethyl ester

Downstream raw materials:

3,3-dimethyl-N-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)pentanamide

(R)-4,5-dihydro-2-(2,2-dimethylbutyl)-4-phenyloxazole

C₁₆H₂₃N₅O₇

C₁₆H₂₃N₅O₇

Refernces

• 1、 Perron, Quentin,Alexakis, Alexandre. "Catalytic asymmetric bromine-lithium exchange: A new tool to build axial chirality". supporting information; experimental part. p. 2611 - 2620. Retrieved 2011/01/05.
• 2、 -. "Processes for producing aromatic polycarbonate oligomer and aromatic polycarbonate". . . Retrieved 2008/06/13.