2,2-Dimethyl-3-phenylcyclopropane-1-carboxylic acid

Base Information

• Chemical Name: 2,2-Dimethyl-3-phenylcyclopropane-1-carboxylic acid
• CAS No.: 494846-26-3
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• European Community (EC) Number: 833-980-0
• Mol file: 494846-26-3.mol

Synonyms:2,2-dimethyl-3-phenylcyclopropane-1-carboxylic acid;50672-13-4;trans-22-dimethyl-3-phenylcyclopropane-1-carboxylic acid;494846-26-3;Cyclopropanecarboxylic acid, 2,2-dimethyl-3-phenyl-;SCHEMBL3287837;FT-0747851;EN300-191930;2,2-dimethyl-3-phenylcyclopropane-1-carboxylicacid

Chemical Property of 2,2-Dimethyl-3-phenylcyclopropane-1-carboxylic acid

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C(C1C(=O)O)C2=CC=CC=C2)C

Technology Process of 2,2-Dimethyl-3-phenylcyclopropane-1-carboxylic acid

There total 16 articles about 2,2-Dimethyl-3-phenylcyclopropane-1-carboxylic 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: 100.0%

(4S)-4-benzyl-3-{[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]carbonyl}-1,3-oxazolidin-2-one (1557242-99-5) → (+)-trans-(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarboxylic acid (494846-26-3)

Guidance literature:

With dihydrogen peroxide; lithium hydroxide; In tetrahydrofuran; water; at 0 - 20 ℃; for 2h;

DOI:10.1021/acsmedchemlett.9b00001

Reference yield: 50.0%

(+/-)-trans-2,2-dimethyl-3-phenylcyclopropanecarbonitrile (99647-67-3,99647-68-4) → (+)-trans-(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarboxylic acid (494846-26-3) + (-)-trans-(1S,3S)-2,2-dimethyl-3-phenylcyclopropanecarboxamide (93085-88-2) + (-)-trans-(1S,3S)-2,2-dimethyl-3-phenylcyclopropanecarbonitrile

Guidance literature:

With Rhodococcus sp. AJ₂₇₀ cells; In phosphate buffer; at 30 ℃; for 33h; pH=7.0;

DOI:10.1021/jo026490q

Reference yield: 50.0%

(+/-)-trans-2,2-dimethyl-3-phenylcyclopropanecarbonitrile (99647-67-3,99647-68-4) → (+)-trans-(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarboxylic acid (494846-26-3) + (-)-trans-(1S,3S)-2,2-dimethyl-3-phenylcyclopropanecarboxamide (93085-88-2) + (1S,3S)-2,2-dimethyl-3-phenylcyclopropanecarbonitrile

Guidance literature:

With potassium phosphate buffer; Rhodococcus sp. AJ₂₇₀ cells; at 30 ℃; for 33h; pH=7.0;

DOI:10.1016/j.tetasy.2003.11.016

upstream raw materials:

(+/-)-trans-2,2-dimethyl-3-phenylcyclopropanecarboxamide

(+/-)-trans-2,2-dimethyl-3-phenylcyclopropanecarbonitrile

(2-methyl-1-propenyl)-benzene

(±)-trans-ethyl 2,2-dimethyl-3-phenylcyclopropanecarboxylate

Downstream raw materials:

(+)-trans-(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarboxamide

(1R,3R)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2,2-dimethyl-3-phenylcyclopropanecarboxamide

C₁₂H₁₃ClO

4-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]benzenesulfonamide