1-Methylcyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-Methylcyclopropanecarboxylic acid
• CAS No.: 6914-76-7
• Molecular Formula: C5H8 O2
• Molecular Weight: 100.117
• Hs Code.: 2916209090
• European Community (EC) Number: 230-020-7
• DSSTox Substance ID: DTXSID50219201
• Nikkaji Number: J208.733B
• Wikidata: Q27070809
• Pharos Ligand ID: T7WN5CSN7FNU
• ChEMBL ID: CHEMBL4516837
• Mol file: 6914-76-7.mol

Synonyms:1-Methylcyclopropane-1-carboxylic acid;6914-76-7;1-Methylcyclopropanecarboxylic acid;1-Methyl-cyclopropanecarboxylic acid;Cyclopropanecarboxylic acid, 1-methyl-;MFCD00001290;CHEMBL4516837;EINECS 230-020-7;1-METHYLCYCLOPROPANE-1-CARBOXYLICACID;1-methylcyclopropanoic acid;D07FPQ;SCHEMBL113962;GTPL6500;DIZKLZKLNKQFGB-UHFFFAOYSA-;DTXSID50219201;Methyl-cyclopropanecarboxylic acid;1-methylcyclopropyl carboxylic acid;9(10H)-Acridinone, 2-methoxy-;1-methylcyclo-propanecarboxylic acid;BCP16042;STR09934;1-methyl cyclopropyl carboxylic acid;Cyclopropanecarboxylicacid,1-methyl-;1-methyl-cyclopropane-carboxylic acid;BDBM50527497;1-Methyl cyclopropane carboxylic acid;AKOS005217440;1-methyl-1-cyclopropyl carboxylic acid;AC-5063;CS-W000087;PS-9328;SB11133;1-methyl-cyclopropane-1-carboxylic acid;1-Methylcyclopropanecarboxylic acid, 98%;AM804235;SY003983;FT-0608081;M0885;EN300-78700;A25124;J-504995;Q27070809;Z1205493633

Chemical Property of 1-Methylcyclopropanecarboxylic acid

Chemical Property:

• Appearance/Colour: WHITE TO YELLOW POWDER, CRYSTALS, CRYSTALLINE POWDER OR SOLID AND/OR CHUNKS
• Vapor Pressure: 0.352mmHg at 25°C
• Melting Point: 30-32 °C(lit.)
• Refractive Index: 1.483
• Boiling Point: 183-185 °C(lit.)
• PKA: 4.87±0.20(Predicted)
• Flash Point: 184 °F
• PSA: 37.30000
• Density: 1.193 g/cm³
• LogP: 0.87110
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 100.052429494
• Heavy Atom Count: 7
• Complexity: 103

Purity/Quality:

99%, ^*data from raw suppliers

1-Methylcyclopropane-1-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,N,T
• Statements: 34-50/53-36-25
• Safety Statements: 26-27-36/37/39-45-61-60

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CC1)C(=O)O
• Uses: 1-Methylcyclopropanecarboxylic acid was used in the structure-activity studies of small carboxylic acids (SCAs). It was also used in the identification of selective orthosteric ligands for both free fatty acid receptor 2 (FFA2) and free fatty acid receptor 3 (FFA3).

Technology Process of 1-Methylcyclopropanecarboxylic acid

There total 24 articles about 1-Methylcyclopropanecarboxylic 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: 99.0%

1-Methylcyclopropancarbonsaeurenitril (78104-88-8) → 1-Methyl-cyclopropanoic acid (6914-76-7)

Guidance literature:

With sodium hydroxide; for 3h; Heating;

DOI:10.1007/BF00699840

Reference yield: 94.1%

benzyl 2,2-dibromo-1-methylcyclopropylcarboxylate → 1-Methyl-cyclopropanoic acid (6914-76-7)

Guidance literature:

benzyl 2,2-dibromo-1-methylcyclopropylcarboxylate; With sodium; In tetrahydrofuran; ethanol; water; toluene; at 20 ℃; for 1h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; ethanol; water; toluene; pH=1;

Reference yield: 93.3%

benzyl 2,2-dichloro-1-methylcyclopropylcarboxylate → 1-Methyl-cyclopropanoic acid (6914-76-7)

Guidance literature:

benzyl 2,2-dichloro-1-methylcyclopropylcarboxylate; With sodium; In tetrahydrofuran; ethanol; water; toluene; at 20 ℃; for 1h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; ethanol; water; toluene; pH=1;

upstream raw materials:

methyl 1-methylcyclopropanecarboxylate

carbon dioxide

2-methylallylmagnesium chloride

1-(1-methylcyclopropyl)ethanone

Downstream raw materials:

1-methylcyclopropanecarboxamide

1-Methylcyclopropylmethylketoxim-pikrat

4-(3-(tert-butoxycarbonylamino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)phenyl 1-methylcyclopropanecarboxylate

C₁₈H₁₄F₄N₂O

Refernces

• 1、 Shang, Rui,Ilies, Laurean,Matsumoto, Arimasa,Nakamura, Eiichi. "β-Arylation of carboxamides via iron-catalyzed C(sp3)-H bond activation". supporting information. p. 6030 - 6032,3. Retrieved 2013/05/22.
• 2、 -. "PYRAZOLE-ISOQUINOLINE UREA DERIVATIVES AS P38 KINASE INHIBITORS". Page/Page column 21. . Retrieved 2008/06/13.