2,2-Dimethylcyclopropanecarboxylic acid

Base Information

• Chemical Name: 2,2-Dimethylcyclopropanecarboxylic acid
• CAS No.: 931-26-0
• Molecular Formula: C₆H₁₀O₂
• Molecular Weight: 114.144
• European Community (EC) Number: 811-960-2
• NSC Number: 92357
• DSSTox Substance ID: DTXSID60293799
• Nikkaji Number: J43.072B
• Mol file: 931-26-0.mol

Synonyms:2,2-dimethylcyclopropanecarboxylic acid;75885-59-5;2,2-dimethylcyclopropane-1-carboxylic acid;2,2-Dimethyl cyclopropyl carboxylic acid;931-26-0;2,2-Dimethylcyclopropylcarboxylic acid;2,2-dimethyl-1-cyclopropanecarboxylic acid;MFCD04972493;MFCD08460918;NSC92357;(1R)-2,2-dimethylcyclopropane-1-carboxylic acid;NCIOpen2_001340;SCHEMBL294740;DTXSID60293799;BFNMOMYTTGHNGJ-UHFFFAOYSA-N;AMY21208;NSC-92357;2,2-dimethylcyclopropanecarboxylicacid;AKOS005217436;AB21127;CS-W005115;SB12984;SB12985;2,2-Dimethyl-cyclopropanecarboxylic acid;AC-13096;AS-10991;SY009363;SY108102;FT-0650369;rac-2,2-dimethyl-cyclopropanecarboxylic acid;EN300-85051;P17495;(+/-)-2,2-dimethyl-cyclopropanecarboxylic acid;A808426;A838540;A865599;2,2-dimethyl cyclopropyl carboxylic acid, AldrichCPR;Z979743336;(S)-(+)-2_2DIMETHYLCYCLOPROPANECARBOXYLIC ACID

Chemical Property of 2,2-Dimethylcyclopropanecarboxylic acid

Chemical Property:

• PSA: 37.30000
• LogP: 1.11710
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 127

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC1C(=O)O)C

Technology Process of 2,2-Dimethylcyclopropanecarboxylic acid

There total 45 articles about 2,2-Dimethylcyclopropanecarboxylic 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: 49.1%

2,2-dimethylcyclopropane carboxylic acid 2,2,2-trifluoroethyl ester (645413-67-8) → (+)-1S-2,2-dimethylcyclopropane-carboxylic acid (14590-53-5,931-26-0)

Guidance literature:

With dipotassium hydrogenphosphate; water; esterase; at 40 ℃; pH=7; Aqueous phophate buffer;

Reference yield:

(RS)-2,2-dimethylcyclopropanecarboxamide (1759-55-3) → (+)-1S-2,2-dimethylcyclopropane-carboxylic acid (14590-53-5,931-26-0)

Guidance literature:

With cell-free extract of amidase gene cloned from Klebsiella oxytoca KCTC 1686 and functionally expressed in Escherichia coli BL₂₁(DE₃); In methanol; enantioselective reaction; Enzymatic reaction;

DOI:10.1016/j.procbio.2015.05.005

Reference yield:

ethyl (±)-2,2-dimethylcyclopropanecarboxylate (16783-11-2,97642-76-7,473717-80-5,91603-11-1) → (+)-1S-2,2-dimethylcyclopropane-carboxylic acid (14590-53-5,931-26-0) + ethyl (R)-2,2-dimethylcyclopropanecarboxylate (91603-11-1)

Guidance literature:

With RhEst₁; sodium hydroxide; In water; at 25 ℃; for 13h; pH=8; Reagent/catalyst; Time;

DOI:10.1039/c5cy00085h

upstream raw materials:

4-bromo-3,3-dimethyl-butyric acid ethyl ester

rac-2,2-dimethylcyclopropanecarbonitrile

ethyl (±)-2,2-dimethylcyclopropanecarboxylate

neopentyl glycol bis(benzenesulfonate)

Downstream raw materials:

N-(2-aminophenyl)-2,2-dimethylcyclopropanecarboxamide

1,2-bis(2,2-dimethylcyclopropyl-1-carbonylamino)benzene