Basic Information | Post buying leads | Suppliers | Cas Database |
Conditions | Yield |
---|---|
In dichloromethane at -30 - -20℃; for 3h; Temperature; UV-irradiation; | 97% |
In cyclohexane at 10 - 16℃; Solvent; Diels-Alder Cycloaddition; | 95% |
(3S,4S)-4-(N-allyl-4-methylphenylsulfonamido)-6-methyl-1,3-diphenylhept-1-yn-3-yl cyclobutanecarboxylate
A
Cyclobutanecarboxylic acid
B
((3R,6S)-6-isobutyl-3-methyl-5-phenyl-1-tosyl-1,2,3,6-tetrahydropyridin-4-yl)(phenyl)methanone
Conditions | Yield |
---|---|
With Echavarren's catalyst; water In 1,2-dichloro-ethane at 80℃; for 24h; Inert atmosphere; stereoselective reaction; | A n/a B 96% |
Conditions | Yield |
---|---|
With C15H27Br2CoN3; potassium hydroxide In toluene at 140℃; for 16h; Cannizzaro Reaction; Inert atmosphere; Sealed tube; | 73% |
With lead(IV) acetate; calcium carbonate In benzene |
carbon dioxide
Bromocyclobutane
potassium carbonate
Cyclobutanecarboxylic acid
Conditions | Yield |
---|---|
With nickel(II) bromide dimethoxyethane; 2.9-dimethyl-1,10-phenanthroline; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; C60H36N2 In N,N-dimethyl-formamide at 20℃; for 24h; Molecular sieve; Irradiation; | 41% |
Conditions | Yield |
---|---|
With poly(bisanthracenyl) diselenide; dihydrogen peroxide In tert-butyl alcohol for 5h; Heating; | 15% |
With selenium(IV) oxide; dihydrogen peroxide; tert-butyl alcohol | |
With dihydrogen peroxide In tert-butyl alcohol |
Conditions | Yield |
---|---|
With silver(l) oxide | |
With sodium hydroxide at 80℃; for 42h; |
Conditions | Yield |
---|---|
With sodium hydroxide | |
durch Verseifung; | |
beim Verseifen; |
Conditions | Yield |
---|---|
at 210 - 220℃; |
ethyl 3-iodocyclobutane-1-carboxylate
Cyclobutanecarboxylic acid
Conditions | Yield |
---|---|
With sodium amalgam; ethanol |
carbon dioxide
cyclobutyltriphenylphosphonium ylide
Cyclobutanecarboxylic acid
Conditions | Yield |
---|---|
(i) , (ii) (alkaline hydrolysis); Multistep reaction; |
The Cyclobutanecarboxylic acid, with the CAS registry number 3721-95-7, is also known as Cyclo-butyl formic acid. It belongs to the product categories of Acids and Derivatives; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Cyclobutanes & Cyclobutenes; Simple 4-Membered Ring Compounds; Cycloalkanes; C1 to C5; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 223-072-7. This chemical's molecular formula is C5H8O2 and molecular weight is 100.12. What's more, its IUPAC name is the same with its product name. This chemical can be prepared by Cyclobutane-1, 1-dicarboxylic acid. This reaction needs the temperature of 160 °C. The yield is 86-91 %.
Physical properties about Cyclobutanecarboxylic acid are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): -1.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.84; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 24.55 cm3; (15)Molar Volume: 83.2 cm3; (16)Surface Tension: 49.5 dyne/cm; (17)Density: 1.202 g/cm3; (18)Flash Point: 85.4 °C; (19)Enthalpy of Vaporization: 47.56 kJ/mol; (20)Boiling Point: 195.3 °C at 760 mmHg; (21)Vapour Pressure: 0.182 mmHg at 25 °C.
Uses of Cyclobutanecarboxylic acid: (1) it is used in organic synthesis; (2) it is used to produce other chemicals. For example, it can react with Methanol to get Cyclobutanecarboxylic acid methyl ester. The reaction occurs with reagent H2SO4 and other condition of heating for 8 hours. The yield is 75 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should avoid contacting with skin, eyes and wear suitable protective clothing. You can not breathe the gas/fumes/vapour/spray. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C1CCC1
(2) InChI: InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)
(3) InChIKey: TXWOGHSRPAYOML-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1270mg/kg (1270mg/kg) | Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969. Link to PubMed | |
mouse | LD50 | subcutaneous | 1270mg/kg (1270mg/kg) | Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969. Link to PubMed |