ChemicalBook--->CAS DataBase List--->34970-18-8

34970-18-8

34970-18-8 Structure

34970-18-8 Structure
IdentificationBack Directory
[Name]

3,3-DIMETHYLCYCLOBUTANECARBOXYLIC ACID
[CAS]

34970-18-8
[Synonyms]

3,3-DIMETHYLCYCLOBUTANECARBOXYLIC ACID
Cyclobutanecarboxylic acid, 3,3-dimethyl-
3,3-dimethylcyclobutane-1-carboxylic acid
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C7H12O2
[MDL Number]

MFCD01734205
[MOL File]

34970-18-8.mol
[Molecular Weight]

128.17
Chemical PropertiesBack Directory
[Boiling point ]

206℃
[density ]

1.053
[Fp ]

96℃
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

liquid
[pka]

4.82±0.40(Predicted)
[color ]

Colourless
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P271-P261-P280
[Hazard Codes ]

Xn
[Risk Statements ]

22
[HS Code ]

2916200090
Spectrum DetailBack Directory
[Spectrum Detail]

3,3-DIMETHYLCYCLOBUTANECARBOXYLIC ACID(34970-18-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

1,1-Cyclobutanedicarboxylic acid, 3,3-dimethyl-

231303-93-8

3,3-DIMETHYLCYCLOBUTANECARBOXYLIC ACID

34970-18-8

The general procedure for the synthesis of 3,3-dimethylcyclobutanecarboxylic acid from the compound (CAS:231303-93-8) was as follows: intermediate 285C (250 mg, 1.452 mmol) was dissolved in pyridine (5 mL) and the reaction was stirred for 16 h at 120 °C. After completion of the reaction, the reaction mixture was cooled to room temperature and the reaction was quenched with 1.5 N HCl aqueous solution. Subsequently, extraction was carried out with ether (2 x 50 mL) at 0 °C. The organic layers were combined, washed with saturated brine, dried over anhydrous sodium sulfate, and concentrated under reduced pressure to afford intermediate 285D as a viscous liquid (170 mg, 91% yield).1H NMR (400 MHz, DMSO-d6) δ ppm: 2.90-3.02 (m, 1H), 1.84-1.95 (m, 4H), 1.07-1.14 (m, 3H) , 0.99-1.07 (m, 3H).

[References]

[1] Patent: US9273058, 2016, B2. Location in patent: Page/Page column 329; 330; 331
[2] Tetrahedron, 1999, vol. 55, # 19, p. 6119 - 6128
[3] Tetrahedron Letters, 1990, vol. 31, # 21, p. 2975 - 2978
[4] Patent: WO2015/129926, 2015, A1. Location in patent: Page/Page column 101
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