2-Methyl-3-phenyl-2-cyclopropene-1-carboxylic acid

Base Information

• Chemical Name: 2-Methyl-3-phenyl-2-cyclopropene-1-carboxylic acid
• CAS No.: 18826-56-7
• Molecular Formula: C₁₁H₁₀O₂
• Molecular Weight: 174.199
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30407588
• Mol file: 18826-56-7.mol

Synonyms:18826-56-7;2-Methyl-3-phenyl-2-cyclopropene-1-carboxylic acid;2-methyl-3-phenylcycloprop-2-ene-1-carboxylic acid;2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-;2-Methyl-3-phenylcycloprop-2-enecarboxylic acid;Oprea1_338901;SCHEMBL2918529;DTXSID30407588;CHEMBRDG-BB 5326629;MFCD00461251;AKOS006282075;AS-69080;FT-0721956;2-Methyl-3-phenylcycloprop-2-enecarboxylicacid;C80016;3-methyl-2-phenylcycloprop-2-ene-1-carboxylic acid;2-Methyl-3-phenyl-2-cyclopropene-1-carboxylic acid, AldrichCPR

Chemical Property of 2-Methyl-3-phenyl-2-cyclopropene-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000243mmHg at 25°C
• PSA: 37.30000
• LogP: 2.17450
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.068079557
• Heavy Atom Count: 13
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-3-phenyl-2-cyclopropene-1-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C1C(=O)O)C2=CC=CC=C2
• Uses: 2-Methyl-3-phenyl-2-cyclopropene-1-carboxylic Acid is used as a potassium channel modulator.

Technology Process of 2-Methyl-3-phenyl-2-cyclopropene-1-carboxylic acid

There total 7 articles about 2-Methyl-3-phenyl-2-cyclopropene-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:

1-Phenylprop-1-yne (673-32-5) → 2-methyl-3-phenyl-2-cyclopropene-1-carboxylic acid (18826-56-7,20071-11-8,20071-12-9)

Guidance literature:

Multi-step reaction with 2 steps

1: rhodium acetate

2: potassium hydroxide / H₂O

With potassium hydroxide; rhodium(II) acetate; In water;

DOI:10.1021/ja00382a019

Reference yield:

phenyl-2 methyl-3 cyclopropene-2 carboxylate d'ethyle (19042-22-9,54564-58-8) → 2-methyl-3-phenyl-2-cyclopropene-1-carboxylic acid (18826-56-7,20071-11-8,20071-12-9)

Guidance literature:

With potassium hydroxide; In water;

DOI:10.1021/ja00382a019

Reference yield:

ethyl 2-methyl-3-phenylcycloprop-2-ene-1-carboxylate (21451-13-8) → 2-methyl-3-phenyl-2-cyclopropene-1-carboxylic acid (18826-56-7,20071-11-8,20071-12-9)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/jo01255a006

upstream raw materials:

1-Phenylprop-1-yne

diazoacetic acid ethyl ester

phenyl-2 methyl-3 cyclopropene-2 carboxylate d'ethyle

methyl diazoacetate

Downstream raw materials:

phenyl-2 methyl-3 cyclopropene-2 carboxylate d'ethyle

methyl (E)-2-(2-phenylcyclopropylidene)acetate

2-methoxy-4-methyl-5-phenylfuran

methyl (2E)-3-methyl-4-oxo-4-phenylbut-2-enoate

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